SCHEMBL4193395

SCHEMBL4193395

Cc1ccc(-c2ccccc2)c2c1CC(C)C2=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
MAOA P21397 8/20 0.46
MAOB P27338 6/20 0.46
POLL Q9UGP5 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
BRD4 O60885 1/20 0.36
ESR2 Q92731 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
SCHEMBL5951073 0.88 ACHE (0.49) ACHEMAOAMAOBPARP10PARP11
SCHEMBL5952480 0.84 ACHE (0.56) ACHEMAOAMAOBPARP10PARP11
SCHEMBL1021838 0.82 ACHE (0.44) ACHEMAOAMAOBPOLLBRD4
SCHEMBL5952162 0.81 ACHE (0.57) ACHEMAOAMAOBPARP10PARP11
SCHEMBL5953339 0.81 ACHE (0.68) ACHEMAOAMAOBPOLL
SCHEMBL31693572 0.79 ACHE (0.56) ACHEMAOAMAOBPOLL
SCHEMBL2046109 0.79 ACHE (0.56) ACHEMAOAMAOBPOLL
SCHEMBL8160364 0.78 MAOA (0.43) ACHEMAOAMAOBBRD4
SCHEMBL11874787 0.75 MAOA (0.61) ACHEMAOAMAOBPOLL
SCHEMBL5952055 0.75 ACHE (0.68) ACHEMAOAMAOBPOLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636245-B1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-02-25 EP disclosed
US-20060252637-A1 Bisindenyl zirconium complexes for use in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-09 US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP 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
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 WO disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US 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 ACHE 839/4885MAOA 498/4885MAOB 334/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOA 564/4885MAOB 403/4885

“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.