SCHEMBL5952774

SCHEMBL5952774

CCC1Cc2c(Cl)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.43
CYP19A1 P11511 4/20 0.42
ACHE P22303 3/20 0.40
MAPT P10636 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
NOTUM Q6P988 1/20 0.38
KIF11 P52732 1/20 0.38
S100A4 P26447 1/20 0.36
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
MAPK14 Q16539 1/20 0.33

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 0.87 METAP1 (0.41) METAP1CYP19A1ACHEAADATNOTUM
SCHEMBL5953103 0.84 ACHE (0.39) METAP1CYP19A1ACHEAADATNOTUM
SCHEMBL5951525 0.83 METAP1 (0.40) METAP1CYP19A1ACHEAADATNOTUM
SCHEMBL7627859 0.81 ACHE (0.62) METAP1CYP19A1ACHEAADAT
SCHEMBL8596147 0.81 METAP1 (0.41) METAP1CYP19A1ACHEMAPTAADAT
SCHEMBL8874155 0.81 METAP1 (0.41) METAP1CYP19A1ACHEMAPTAADAT
SCHEMBL8597617 0.80 METAP1 (0.39) METAP1CYP19A1ACHEAADATNOTUM
SCHEMBL8597615 0.80 METAP1 (0.39) METAP1CYP19A1ACHEAADATNOTUM
SCHEMBL5951985 0.80 CYP19A1 (0.43) METAP1CYP19A1ACHE
SCHEMBL8873801 0.80 METAP1 (0.39) METAP1CYP19A1ACHEAADATNOTUM

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

“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.