SCHEMBL5952316

SCHEMBL5952316

Cc1ccccc1-c1cccc2c1CC(C)C2=O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.77
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
BRD4 O60885 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
HTR7 P34969 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ATM Q13315 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
SCHEMBL5952702 0.88 ACHE (0.75) ACHECSNK2A2CSNK2A1BRD4PARP1
SCHEMBL6936179 0.87 ACHE (1.00) ACHEPARP1PARP10PARP11HTR2A
SCHEMBL30666460 0.87 ACHE (1.00) ACHEPARP1PARP10PARP11HTR2A
SCHEMBL5952137 0.84 ACHE (0.64) ACHECSNK2A2CSNK2A1BRD4
SCHEMBL5952218 0.84 ACHE (0.64) ACHE
SCHEMBL5952851 0.84 ACHE (0.64) ACHEBRD4
SCHEMBL5952009 0.83 ACHE (0.62) ACHECSNK2A2CSNK2A1BRD4PARP1
SCHEMBL5951704 0.81 ACHE (0.60) ACHECSNK2A2CSNK2A1BRD4PARP10
SCHEMBL5952877 0.81 ACHE (0.60) ACHECSNK2A2CSNK2A1BRD4PARP1
SCHEMBL3066323 0.81 ACHE (0.64) ACHEBRD4PARP10PARP11HTR7

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 839/4885CSNK2A2 217/4885CSNK2A1 224/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885CSNK2A2 260/4885CSNK2A1 236/4885

“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.