SCHEMBL439194

SCHEMBL439194

O=[C]C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTPN1 P18031 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 2/20 0.38
KCNN4 O15554 2/20 0.38
HIF1A Q16665 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL28029771 0.80 KCNN4 (0.50) ALDH1A1CYP2C9PTPN1KCNN4
SCHEMBL10344433 0.79 CYP1A2 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL15534952 0.78 KIF11 (0.41) ALDH1A1KMT2AMAPTMEN1
SCHEMBL1758086 0.78 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL10978086 0.75 PDK1 (0.35) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL4429025 0.75 MAPT (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL8755619 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL362964 0.74 TSHR (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL414397 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL672879 0.73 CYP1A2 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107353317-A The oligonucleotide analogs of key and/or end group between subunit with modification 萨勒普塔医疗公司 2017-11-17 CN claimed
US-8779128-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2014-07-15 US claimed
EP-2576574-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS Sarepta Therapeutics, Inc. (US) 2013-04-10 EP claimed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 US claimed
WO-2011150408-A2 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS AVI BIOPHARMA, INC. (US) 2011-12-01 WO claimed
EP-1511500-A4 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-29 EP claimed
JP-2006504666-A 2006-02-09 JP claimed
CN-1674918-A Compositions, formulations and kits for treating respiratory and pulmonary diseases using dehydroepiandrosterone steroids and antimuscarinic drugs EPIGENESIS PHARMACEUTICALS INC (US) 2005-09-28 CN claimed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US claimed
EP-1511500-A2 COMBINATION OF ANTI-MUSCARINIC AGENTS AND NON-GLUCOCORTICOID STEROIDS Epigenesis Pharmaceuticals, Inc. (US) 2005-03-09 EP claimed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 US claimed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP claimed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 EP claimed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 US claimed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 US claimed
EP-0876391-A4 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 1998-12-30 EP claimed
EP-0876391-A1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC. (US) 1998-11-11 EP claimed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 US claimed
WO-1997010255-A1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER, INC. (US) 1997-03-20 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB ALDH1A1 2803/4885CYP1A2 4698/4885CYP2C9 4607/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 ALDH1A1 3776/4885CYP1A2 3219/4885CYP2C9 1788/4885

“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.