SCHEMBL5952837

SCHEMBL5952837

C[Sn](C)(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
SLC6A4 P31645 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL8585311 0.88 ALDH1A1 (0.32) ALDH1A1CYP3A4TDP1
SCHEMBL17352045 0.83 ALDH1A1 (0.50) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL352235 0.82 TSHR (0.39) ALDH1A1HSD17B10TDP1MAPTSMN1; SMN2
SCHEMBL5951544 0.79 ALDH1A1 (0.45) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Biphenyl SCHEMBL27624573 0.78 ALDH1A1 (0.69) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL5952322 0.77 MAOA (0.44) ALDH1A1CYP1A2CYP3A4SMN1; SMN2SLC22A2
SCHEMBL827097 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL21448 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL2637802 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Biphenyl SCHEMBL895675 0.74 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
US-6319948-B2 PREVENTION AND/OR MINIMIZATION OF SURGICAL ADHESION FORMATION BY ADMINISTERING CERTAIN SUBSTITUTED (5,6)-DIHYDRONAPHTHALENYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2001-11-20 US disclosed
US-20010003780-A1 Retinoid antagonists and uses thereof TRAMPOSCH KENNETH M (US) 2001-06-14 US disclosed
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
WO-1998046228-A1 RETINOID ANTAGONISTS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-22 WO disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
EP-0584222-A4 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1994-07-06 EP disclosed
EP-0584222-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE. RHONE POULENC RORER INT (US) 1994-03-02 EP disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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 (3 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-20010003780-A1 Retinoid antagonists and uses thereof RARA, RARB, RARG ALDH1A1 123/4885TAAR1 2047/4885CYP1A2 1588/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ALDH1A1 317/4885TAAR1 3746/4885CYP1A2 1/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885TAAR1 3272/4885CYP1A2 1/4885

“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.