SCHEMBL3251983

SCHEMBL3251983

Oc1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.84
ESR2 Q92731 8/20 0.60
ESR1 P03372 7/20 0.60
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 2/20 0.54
HIF1A Q16665 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B1 P14061 2/20 0.54
HSD17B2 P37059 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
CLK1 P49759 1/20 0.52

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
SCHEMBL3790145 1.00 CYP1A2 (0.84) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL29410413 1.00 CYP1A2 (0.84) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL536458 1.00 CYP1A2 (0.84) CYP1A2ESR2ESR1CYP3A4ALOX15
SCHEMBL31320915 1.00 CYP1A2 (0.84) CYP1A2ESR2ESR1CYP3A4ALOX15
Methane SCHEMBL7865282 0.97 CYP1A2 (0.80) CYP1A2ESR2ESR1CYP3A4ALOX15
Anthracene SCHEMBL28283702 0.97 CYP1A2 (0.90) CYP1A2ESR2ESR1CYP3A4ALOX15
Betanaphthol SCHEMBL11026449 0.94 CYP1A2 (0.94) CYP1A2ESR2ESR1CYP3A4ALOX15
Betanaphthol SCHEMBL11594695 0.92 CYP1A2 (1.00) CYP1A2ESR2ESR1CYP3A4ALOX15
Betanaphthol SCHEMBL28781 0.92 CYP1A2 (1.00) CYP1A2ESR2ESR1CYP3A4ALOX15
Betanaphthol SCHEMBL239472 0.92 CYP1A2 (1.00) CYP1A2ESR2ESR1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed
EP-1906969-A4 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
EP-1906969-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-04-09 EP disclosed
WO-2007011926-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-01-25 WO disclosed
US-7135581-B2 Antiangiogenic agents ENTREMED, INC. (US) 2006-11-14 US disclosed
EP-1042354-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 2000-10-11 EP disclosed
WO-1999033858-A9 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1999-10-28 WO disclosed
WO-1999033858-A2 ESTRONE SULFAMATE INHIBITORS OF ESTRONE SULFATASE, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1999-07-08 WO 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-4617151-A 2- or 2,3-substituted 5,6,11,12-tetrathiotetracene and 5,6,11,12-tetraselenotetracene CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed
EP-0065243-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR USE IN ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
US-4465752-A Organic photoconductive compositions for use in electrophotography TOKYO SHIBAURA DENKI KABUSHIKI KAISHA (JP) 1984-08-14 US disclosed
EP-0065243-A1 Organic photoconductive compositions for use in electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-11-24 EP 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 1358/4885ESR2 15/4885ESR1 45/4885

“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.