SCHEMBL5951692

SCHEMBL5951692

CC(C)Cc1ccc2ccc(C3Cc4ccccc4C3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
METAP1 P53582 4/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
SLC25A5 P05141 1/20 0.35
CYP19A1 P11511 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ABL1 P00519 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
SCHEMBL5953324 0.86 CYP1A2 (0.44) ACHEMETAP1CYP19A1
SCHEMBL5953308 0.84 ACHE (0.39) ACHEHTR2AHTR2CHTR2BMETAP1
SCHEMBL5952202 0.83 ACHE (0.42) ACHEMETAP1CYP19A1
SCHEMBL5951510 0.82 ACHE (0.38) ACHEHTR2AHTR2CMETAP1S1PR1
SCHEMBL30424198 0.80 ACHE (0.46) ACHEMETAP1CYP19A1
SCHEMBL5951600 0.76 ACHE (0.38) ACHEHTR2AHTR2CHTR2BMETAP1
SCHEMBL5952032 0.74 THRB (0.39) ACHEHTR2AHTR2CHTR2BMETAP1
SCHEMBL14941504 0.73 ACHE (0.45) ACHEMETAP1CYP19A1
SCHEMBL30423664 0.71 ACHE (0.49) ACHEMETAP1CYP19A1
SCHEMBL14939508 0.70 ACHE (0.45) ACHEMETAP1CYP19A1

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 839/4885SDCBP 4434/4885SDC2 3924/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885SDCBP 4402/4885SDC2 3977/4885

“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.