SCHEMBL5952702

SCHEMBL5952702

Cc1cccc(-c2cccc3c2CC(C)C3=O)c1C

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.75
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL5952316 0.88 ACHE (0.77) ACHEPARP1PARP10PARP11ATM
SCHEMBL30666460 0.86 ACHE (1.00) ACHEPARP1PARP10PARP11HTR2A
SCHEMBL6936179 0.86 ACHE (1.00) ACHEPARP1PARP10PARP11HTR2A
SCHEMBL5952851 0.80 ACHE (0.64) ACHEBRD4LMNAMAOAMAOB
SCHEMBL5952218 0.80 ACHE (0.64) ACHELMNAMAPTMAOB
SCHEMBL5952137 0.80 ACHE (0.64) ACHECSNK2A2CSNK2A1BRD4LMNA
SCHEMBL30834280 0.79 ACHE (0.62) ACHECSNK2A2CSNK2A1MAOAMAOB
SCHEMBL7699645 0.79 ACHE (0.62) ACHECSNK2A2CSNK2A1MAOAMAOB
SCHEMBL5952009 0.78 ACHE (0.62) ACHEPARP1CSNK2A2CSNK2A1BRD4
SCHEMBL3145427 0.78 ACHE (0.61) ACHELMNAMAOAMAOB

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 5 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

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 839/4885PARP1 2362/4885PARP10 2016/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885PARP1 2180/4885PARP10 2151/4885

“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.