SCHEMBL5952226

SCHEMBL5952226

COB(OC)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CYP2A6 P11509 6/20 0.50
CYP1A2 P05177 4/20 0.50
TDP1 Q9NUW8 1/20 0.43
NQO2 P16083 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NQO1 P15559 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL14983479 0.94 CA1 (0.47) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL21076143 0.79 CA1 (0.61) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL14983446 0.78 CA1 (0.48) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL5952217 0.78 CA1 (0.48) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL14983444 0.77 CA1 (0.52) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL14983448 0.75 CA1 (0.46) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL23095256 0.75 CA1 (0.60) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL9945976 0.75 CA1 (0.60) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL1477665 0.74 CA1 (0.65) CA1CA2CYP2A6CYP1A2TDP1
SCHEMBL15744762 0.72 CA2 (0.38) CA1CA2CA7CA9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-05-27 CN disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO 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 CA1 3547/4885CA2 4329/4885CYP2A6 64/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA1 3105/4885CA2 4267/4885CYP2A6 78/4885

“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.