SCHEMBL217547

SCHEMBL217547

Oc1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
PLAU P00749 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
HSD17B1 P14061 5/20 0.48
HSD17B2 P37059 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TRPM4 Q8TD43 1/20 0.48
DNMT1 P26358 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48

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
SCHEMBL30996771 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL21903469 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL31320821 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL30426266 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL28694534 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL10482344 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL3316198 1.00 CYP1A2 (0.58) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL125037 0.98 CYP1A2 (0.61) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL30921731 0.98 CYP1A2 (0.61) CYP1A2PLAUCTDSP1GRIN2DGRIN2A
SCHEMBL29396905 0.98 CYP1A2 (0.61) CYP1A2PLAUCTDSP1GRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8900416-B2 Production of higher quality bio-oils by in-line esterification of pyrolysis vapor UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US claimed
US-20110296745-A1 PRODUCTION OF HIGHER QUALITY BIO-OILS BY IN-LINE ESTERIFICATION OF PYROLYSIS VAPOR UNITED STATES DEPARTMENT OF ENERGY 2011-12-08 US claimed
WO-2010099058-A2 PRODUCTION OF HIGHER QUALITY BIO-OILS BY IN-LINE ESTERIFICATION OF PYROLYSIS VAPOR UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-09-02 WO claimed
US-10894967-B2 Aldehyde synthase gene, recombinant microorganism comprising the same, and method for producing alkane using the same TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2021-01-19 US disclosed
US-20200283804-A1 NOVEL ALDEHYDE SYNTHASE GENE, RECOMBINANT MICROORGANISM COMPRISING THE SAME, AND METHOD FOR PRODUCING ALKANE USING THE SAME TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-09-10 US disclosed
US-8900416-B2 Production of higher quality bio-oils by in-line esterification of pyrolysis vapor UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
EP-2675800-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-12-25 EP disclosed
US-20130331583-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute of Chemistry, Chinesse Academy of Sciences 2013-12-12 US disclosed
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
WO-2012079545-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF CHINESE ACADEMY OF SCIENCE INSTITUTE OF CHEMISTRY (CN) 2012-06-21 WO disclosed
US-8088554-B2 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD (JP) 2012-01-03 US disclosed
US-20110296745-A1 PRODUCTION OF HIGHER QUALITY BIO-OILS BY IN-LINE ESTERIFICATION OF PYROLYSIS VAPOR UNITED STATES DEPARTMENT OF ENERGY 2011-12-08 US disclosed
WO-2010099058-A2 PRODUCTION OF HIGHER QUALITY BIO-OILS BY IN-LINE ESTERIFICATION OF PYROLYSIS VAPOR UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-09-02 WO disclosed
US-20100151382-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 US disclosed
US-20060234158-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-10-19 US disclosed
US-20060035873-A1 Methods for inducing apolipoprotein e secretion ILEX PRODUCTS, INC. 2006-02-16 US disclosed
US-5338863-A Catalytic sulfiding CIBA-GEIGY CORPORATION (US) 1994-08-16 US disclosed
US-5206390-A Intermediates for tetrathiotetracenes CIBA-GEIGY CORPORATION (US) 1993-04-27 US disclosed
US-3931298-A FROM A HYDROXYAROMATIC AND AMMONIA, GROUP 8-CYCLOHEXANONE CATALYST ETHYL CORPORATION (US) 1976-01-06 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 (1 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-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME NR2E3, NR3C1, NR0B2 CYP1A2 1358/4885PLAU 4668/4885CTDSP1 3050/4885

“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.