SCHEMBL820932

SCHEMBL820932

CC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PGR P06401 1/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.47
ACKR3 P25106 1/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6264067 0.86 RAB9A (0.64) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL13483897 0.85 CYP3A4 (0.55) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL219909 0.85 HDAC6 (0.59) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL13930984 0.84 HDAC6 (0.48) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL9910293 0.80 HSD17B1 (0.61) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL3305569 0.80 ESR1 (0.59) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL19735284 0.79 APP (0.48) LMNATSHRKDM4EALDH1A1RAB9A
SCHEMBL13762176 0.79 LMNA (0.55) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL220043 0.79 CYP3A4 (0.54) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL7496431 0.79 ESR1 (0.57) HDAC6CYP3A4CYP2A6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 HDAC6 670/4885CYP3A4 4450/4885CYP2A6 3496/4885
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES ACHE, CHAT, APP HDAC6 151/4885CYP3A4 3041/4885CYP2A6 1434/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 HDAC6 670/4885CYP3A4 4450/4885CYP2A6 3496/4885
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, AANAT HDAC6 396/4885CYP3A4 2513/4885CYP2A6 1512/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT HDAC6 1518/4885CYP3A4 1302/4885CYP2A6 594/4885
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, CHRNA2 HDAC6 572/4885CYP3A4 1810/4885CYP2A6 958/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP HDAC6 836/4885CYP3A4 436/4885CYP2A6 476/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP HDAC6 836/4885CYP3A4 436/4885CYP2A6 476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.