SCHEMBL5951985

SCHEMBL5951985

COCCC1Cc2c(Cl)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
ACHE P22303 3/20 0.40
METAP1 P53582 2/20 0.39
HTR2C P28335 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
SCHEMBL5952375 0.84 METAP1 (0.41) CYP19A1ACHEMETAP1
SCHEMBL5953103 0.81 ACHE (0.39) CYP19A1ACHEMETAP1
SCHEMBL5952774 0.80 METAP1 (0.43) CYP19A1ACHEMETAP1
SCHEMBL5952561 0.79 CYP19A1 (0.41) CYP19A1ACHEMETAP1HTR2C
SCHEMBL5952062 0.77 HTR2C (0.36) HTR2C
SCHEMBL5951525 0.77 METAP1 (0.40) CYP19A1ACHEMETAP1
SCHEMBL29122994 0.76 METAP1 (0.58) CYP19A1ACHEMETAP1HTR2C
SCHEMBL8874155 0.75 METAP1 (0.41) CYP19A1ACHEMETAP1
SCHEMBL8596147 0.75 METAP1 (0.41) CYP19A1ACHEMETAP1
SCHEMBL8597617 0.74 METAP1 (0.39) CYP19A1ACHEMETAP1

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 CYP19A1 18/4885ACHE 839/4885METAP1 4201/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP19A1 17/4885ACHE 820/4885METAP1 4035/4885

“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.