SCHEMBL85934

SCHEMBL85934

CC1(C)CC(=O)c2cc(O)ccc2S1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.44
PBRM1 Q86U86 1/20 0.40
AKT1 P31749 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
UGT1A1 P22309 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MALT1 Q9UDY8 1/20 0.35
KMT2A Q03164 1/20 0.34
PRKCI P41743 1/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL4420836 0.83 S100A4 (0.37) MAPTALDH1A1KDM4EPBRM1MAOB
SCHEMBL68563 0.81 KDM4E (0.48) MAPTALDH1A1KDM4ELMNAMAOA
SCHEMBL4255191 0.80 TDP2 (0.36) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL68066 0.80 VHL (0.50) MAPTALDH1A1KDM4EMAOAMAOB
SCHEMBL12471284 0.80 MEN1 (0.47) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL10382360 0.80 HTT (0.42) ALDH1A1LMNACA1CA2CA7
SCHEMBL1140756 0.79 ALDH1A1 (0.47) MAPTALDH1A1KDM4ELMNAMAOA
SCHEMBL14145176 0.76 KDM4E (0.33) ALDH1A1KDM4ELMNA
SCHEMBL1140750 0.76 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL12470715 0.76 ALDH1A1 (0.46) MAPTALDH1A1KDM4EMAOACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026778-B1 RAR ANTAGONIST OR INVERSE AGONIST FOR USE IN THE TREATMENT OF CHEMOTHERAPY AND/OR RADIATION THERAPY SIDE EFFECTS IO THERAPEUTICS LLC (US) 2018-11-14 EP disclosed
US-20180320139-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL INC. 2018-11-08 US disclosed
EP-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed
US-20160097037-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD. 2016-04-07 US disclosed
US-9271946-B2 Use of a RAR antagonist or inverse agonist for the treatment of chemotherapy and/or radiation therapy side effects Io Therapeutics, Inc. (US) 2016-03-01 US disclosed
EP-2228417-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-01-07 EP disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
EP-2206773-B1 Expansion of renewable stem cell populations GAMIDA CELL LTD (IL) 2012-07-11 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20030144256-A1 Male anti-fertility agents ALLERGAN SALES, INC. 2003-07-31 US disclosed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO disclosed
US-6521641-B1 Retinoic acid receptor antagonists or inverse agonists; reversibly inhibiting or preventing spermatogenesis ALLERGAN, INC. 2003-02-18 US disclosed
US-20020193403-A1 Methods of treating hyperlipidemia ALLERGAN SALES, INC. (US) 2002-12-19 US disclosed
EP-1119350-A2 RAR ANTAGONISTS AS MALE ANTI-FERTILITY AGENTS Allergan Sales, Inc. (US) 2001-08-01 EP disclosed
US-6218128-B1 DRUG SCREENING FOR INVERSE AGONIST BY MONITORING BINDING OF TWO POLYPEPTIDES HAVING SPECIFIC DOMAINS IN PRESENCE OF TEST COMPOUND ALLERGAN SALES, INC. 2001-04-17 US disclosed
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
WO-2000019990-A2 RAR ANTAGONISTS AS MALE ANTI-FERTILITY AGENTS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO 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 (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-20020193403-A1 Methods of treating hyperlipidemia LDLR, NR1H3, NR1H2 MAPT 4680/4885ALDH1A1 803/4885KDM4E 2710/4885
US-20030144256-A1 Male anti-fertility agents NASP, ALPG, MAN2B2 MAPT 4505/4885ALDH1A1 813/4885KDM4E 2629/4885

“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.