SCHEMBL1140980

SCHEMBL1140980

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CC(C)(C)S3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36
STS P08842 1/20 0.35
PDK2 Q15119 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
GRM5 P41594 2/20 0.33
PPARG P37231 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL6592969 0.91 NPC1 (0.36) RARARARBRARGCYP3A4KMT2A
SCHEMBL6591282 0.91 MAPT (0.34) RARARARBRARGCYP3A4KMT2A
SCHEMBL6588869 0.90 CYP3A4 (0.53) RARARARBRARGCYP3A4KMT2A
SCHEMBL6591025 0.89 KMT2A (0.33) RARARARBRARGCYP3A4KMT2A
SCHEMBL5669671 0.89 RARB (0.41) RARARARBRARGCYP3A4
SCHEMBL6234971 0.84 PDK2 (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL6590616 0.82 CYP3A4 (0.35) RARARARBRARGCYP3A4KMT2A
SCHEMBL6596588 0.80 CYP3A4 (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL6590257 0.78 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL6239862 0.78 RARA (0.49) RARARARBRARGCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180320139-A1 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL INC. 2018-11-08 US 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
US-20110033427-A1 Expansion Of Renewable Stem Cell Populations GAMIDA CELL LTD. (IL) 2011-02-10 US disclosed
EP-1558235-B1 METHODS OF TREATMENT DURING VASCULAR PROCEDURES ALLERGAN INC (US) 2008-12-10 EP disclosed
US-20080214652-A1 Methods of treating hyperlipidemia ALLERGAN SALES, INC. 2008-09-04 US disclosed
EP-1392284-B1 METHODS OF TREATING HYPERLIPIDEMIA ALLERGAN INC (US) 2008-08-27 EP disclosed
EP-1920771-A2 Methods of treating hyperlipidemia Allergan, Inc. (US) 2008-05-14 EP disclosed
US-20070054882-A1 Male anti-fertility agents KLEIN ELLIOTT S 2007-03-08 US disclosed
US-7105566-B2 Methods of treatment during vascular procedures ALLERGAN, INC. (US) 2006-09-12 US disclosed
US-20030144256-A1 Male anti-fertility agents ALLERGAN SALES, INC. 2003-07-31 US 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
WO-2002089781-A2 METHODS OF TREATING HYPERLIPIDEMIA ALLERGAN INC. (US) 2002-11-14 WO 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 (4 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-20070054882-A1 Male anti-fertility agents NASP, ALPG, MAN2B2 RARA 1552/4885RARB 1486/4885RARG 915/4885
US-20080214652-A1 Methods of treating hyperlipidemia LDLR, NR1H3, NR1H2 RARA 37/4885RARB 40/4885RARG 32/4885
US-20020193403-A1 Methods of treating hyperlipidemia LDLR, NR1H3, NR1H2 RARA 37/4885RARB 40/4885RARG 32/4885
US-20030144256-A1 Male anti-fertility agents NASP, ALPG, MAN2B2 RARA 1552/4885RARB 1486/4885RARG 915/4885

“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.