SCHEMBL5952012

SCHEMBL5952012

C[Sn](C)(C)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 5/20 0.48
HSD17B10 Q99714 5/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 8/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37

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
SCHEMBL28571338 0.87 HPRT1 (0.58) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL11805218 0.75 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL8056327 0.75 CYP1A2 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL8052201 0.75 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL10916663 0.75 CYP1A2 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15529474 0.75 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL8056313 0.75 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL11761232 0.75 CYP1A2 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4864336 0.75 ALDH1A1 (0.43) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL15941363 0.74 KDM4E (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2D6

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 20 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
EP-0801644-A4 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE POULENC RORER PHARMA (US) 2001-03-07 EP 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-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
EP-0801644-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-22 EP 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-5556990-A SQUALENE SYNTHASE INHIBITORS, ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
WO-1996018615-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-06-20 WO 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
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ALDH1A1 317/4885CYP2A6 64/4885HSD17B10 535/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885CYP2A6 78/4885HSD17B10 547/4885

“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.