SCHEMBL5951765

SCHEMBL5951765

CCC1Cc2cccc(Cl)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
METAP1 P53582 2/20 0.37
NOS3 P29474 2/20 0.37
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL5952581 0.87 GRM2 (0.41) HTR2AHTR2CHTR2BMETAP1NOS3
SCHEMBL5952451 0.84 ACHE (0.39) HTR2AHTR2CHTR2BMETAP1NOS3
SCHEMBL5953404 0.83 HTR2A (0.37) HTR2AHTR2CHTR2BMETAP1NOS3
SCHEMBL2388260 0.83 HTR2A (0.37) HTR2AHTR2CHTR2BMETAP1NOS3
SCHEMBL5952510 0.81 NOS3 (0.38) HTR2AHTR2CHTR2BMETAP1NOS3
SCHEMBL5952062 0.80 HTR2C (0.36) HTR2AHTR2CHTR2BNOS3ALOX15
SCHEMBL5952655 0.80 METAP1 (0.37) HTR2AHTR2CHTR2BMETAP1HSP90AB1
SCHEMBL5952666 0.80 HTR2A (0.37) HTR2AHTR2CHTR2BNOS3ACHE
SCHEMBL5951328 0.80 ABCB1 (0.50) NOS3
SCHEMBL2070926 0.79 METAP1 (0.43) HTR2AHTR2CHTR2BMETAP1MEN1

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 8 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-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 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
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO 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 (3 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-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 HTR2A 3428/4885HTR2C 3399/4885HTR2B 2637/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A HTR2A 2569/4885HTR2C 2534/4885HTR2B 3049/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 HTR2A 2727/4885HTR2C 2626/4885HTR2B 3128/4885

“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.