SCHEMBL5952322

SCHEMBL5952322

C[Sn](C)(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MGLL Q99685 3/20 0.40
HDAC8 Q9BY41 2/20 0.39
KMO O15229 1/20 0.39
ESR2 Q92731 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
AGXT P21549 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 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
SCHEMBL5951544 0.83 ALDH1A1 (0.45) MAOAALDH1A1KMOESR2CYP1A2
SCHEMBL15267169 0.79 ACHE (0.35)
SCHEMBL5952837 0.77 ALDH1A1 (0.50) ALDH1A1MGLLCYP1A2ALOX5CYP3A4
SCHEMBL352235 0.76 TSHR (0.39) ALDH1A1MGLLSMN1; SMN2
SCHEMBL4039180 0.75 ALDH1A1 (0.44) ALDH1A1ESR2ALOX5
SCHEMBL27742254 0.73 TSHR (0.37) ALDH1A1
SCHEMBL2401076 0.73 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
Biphenyl SCHEMBL11687528 0.73 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL31734209 0.73 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL6918022 0.73 ALDH1A1 (0.69) MAOAALDH1A1MGLLHDAC8KMO

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 11 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
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
EP-0444889-A1 Novel synthesis of carbapenem intermediates MERCK & CO. INC. (US) 1991-09-04 EP 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 MAOA 2960/4885ALDH1A1 123/4885MGLL 4525/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A MAOA 498/4885ALDH1A1 317/4885MGLL 4627/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 MAOA 564/4885ALDH1A1 198/4885MGLL 4728/4885

“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.