SCHEMBL5951545

SCHEMBL5951545

Cc1ccc(-c2cccc3c2CC(C)C3=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.65
MAOB P27338 2/20 0.41
KDR P35968 1/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL5952058 0.87 ACHE (0.60) ACHE
SCHEMBL3066323 0.86 ACHE (0.64) ACHE
SCHEMBL5951456 0.85 ACHE (0.63) ACHEKDRMEN1KMT2AMAPT
SCHEMBL5952789 0.85 ACHE (0.58) ACHEMAOBKDRMAOA
SCHEMBL5952785 0.85 ACHE (0.58) ACHERAB9AEDNRBEDNRA
SCHEMBL5953275 0.85 ACHE (0.58) ACHEMEN1KMT2AADORA3MAPT
SCHEMBL5952600 0.85 ACHE (0.59) ACHEMAOBCYP19A1
SCHEMBL5952061 0.85 ACHE (0.58) ACHEMAOBMAOAMEN1KMT2A
SCHEMBL5952610 0.84 ACHE (0.61) ACHEMAOBMAPTNPC1ALDH1A1
SCHEMBL5953077 0.83 ACHE (0.55) ACHE

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 839/4885MAOB 334/4885KDR 2027/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885MAOB 403/4885KDR 2158/4885

“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.