SCHEMBL5952293

SCHEMBL5952293

CC1Cc2cccc(C(C)C)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.49
HSP90AB1 P08238 1/20 0.45
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
ABCB1 P08183 1/20 0.41
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 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
SCHEMBL7185650 0.77 ACHE (0.53) ACHEMAOAMAOBABCB1HTR2C
SCHEMBL3378780 0.77 MAOA (0.62) ACHEMAOAMAOBABCB1CYP3A4
SCHEMBL19554030 0.76 ACHE (0.45) ACHEHSP90AB1MAOAMAOBABCB1
SCHEMBL5952334 0.75 ACHE (0.49) ACHEHSP90AB1MAOAMAOBABCB1
SCHEMBL5951495 0.75 ACHE (0.52) ACHEMAOAMAOBABCB1
SCHEMBL5951770 0.75 ACHE (0.52) ACHEHSP90AB1MAOAMAOBABCB1
SCHEMBL5951341 0.75 ACHE (0.52) ACHEMAOAMAOBABCB1HTR2C
SCHEMBL6058729 0.75 ACHE (0.43) ACHEHSP90AB1GABRA1GABRB2
SCHEMBL19553562 0.72 ACHE (0.49) ACHEMAOAMAOBABCB1HTR2C
SCHEMBL5953256 0.72 ACHE (0.62) ACHEHSP90AB1ANPEPDPP4FAAH

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 839/4885HSP90AB1 2881/4885MAOA 498/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885HSP90AB1 2643/4885MAOA 564/4885

“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.