SCHEMBL5952875

SCHEMBL5952875

Cc1cc(C)cc(-c2cccc3c2C(=O)C(C)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.51
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
ABCB1 P08183 1/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
RECQL P46063 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
SCHEMBL5952266 0.90 ACHE (0.50) ACHEMAOAMAOBALDH1A1MAPT
SCHEMBL5951841 0.86 ACHE (0.53) ACHEMAOAMAOBABCB1STAT3
SCHEMBL5952251 0.85 ACHE (0.51) ACHEMAOAMAOBABCB1STAT3
SCHEMBL5951255 0.85 ACHE (0.51) ACHEMAOAMAOBABCB1STAT3
SCHEMBL5952912 0.84 ACHE (0.50) ACHEMAOAMAOBABCB1STAT3
SCHEMBL5951620 0.84 ACHE (0.54) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL5952006 0.84 ACHE (0.50) ACHEMAOAMAOBABCB1STAT3
SCHEMBL5509273 0.83 ACHE (0.61) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL5952829 0.82 ACHE (0.49) ACHEBRD4MAOAMAOBMAPT
SCHEMBL5952120 0.82 ACHE (0.51) ACHEMAOAMAOBABCB1STAT3

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 839/4885BRD4 3097/4885CREBBP 2331/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885BRD4 3045/4885CREBBP 2466/4885

“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.