SCHEMBL5952468

SCHEMBL5952468

CCC1Cc2c(cccc2-c2ccc(C)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
METAP1 P53582 5/20 0.40
CYP19A1 P11511 2/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PDE9A O76083 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 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
SCHEMBL1583277 0.88 METAP1 (0.42) ACHEMETAP1CYP19A1
SCHEMBL7627859 0.81 ACHE (0.62) ACHEMETAP1CYP19A1MAOA
SCHEMBL16201909 0.80 CYP19A1 (0.50) CYP19A1MEN1KMT2AMAOBALDH1A1
SCHEMBL5951545 0.80 ACHE (0.65) ACHECYP19A1KDRMEN1KMT2A
SCHEMBL5951443 0.79 METAP1 (0.39) ACHEMETAP1CYP19A1MEN1KMT2A
SCHEMBL5953490 0.77 HTR1A (0.44) ACHEMETAP1CYP19A1MEN1KMT2A
SCHEMBL9317264 0.76 METAP1 (0.46) ACHEMETAP1CYP19A1
SCHEMBL1582991 0.76 METAP1 (0.43) ACHEMETAP1CYP19A1
SCHEMBL5952774 0.76 METAP1 (0.43) ACHEMETAP1CYP19A1MAPT
SCHEMBL5951367 0.76 HTR1A (0.42) 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 839/4885METAP1 4201/4885CYP19A1 18/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885METAP1 4035/4885CYP19A1 17/4885

“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.