SCHEMBL676533

SCHEMBL676533

Oc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.44
PGR P06401 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1B P28222 2/20 0.44
PTPN22 Q9Y2R2 1/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43

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
1-Naphthol SCHEMBL15642069 0.92 CYP1A2 (0.71) CYP1A2KMT2AGAAPOLBKDM4E
SCHEMBL7159393 0.90 CYP1A2 (0.56) CYP1A2KMT2AGAAPOLBKDM4E
SCHEMBL442767 0.87 HTR1B (0.54) CYP1A2KMT2AGAAKDM4EALDH1A1
SCHEMBL29577853 0.87 HTR1B (0.54) CYP1A2KMT2AGAAKDM4EALDH1A1
Lithium SCHEMBL6571336 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1
Methane SCHEMBL10959030 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1
SCHEMBL7457103 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1
SCHEMBL27339322 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1
SCHEMBL27559989 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1
Phosphine SCHEMBL28264511 0.84 HTR1B (0.52) CYP1A2KMT2AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106012108-A Sizing-agent-coated carbon fibre bundle and prepreg 东丽株式会社 2016-10-12 CN disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
EP-2799460-B1 EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIALS, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2016-04-13 EP disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US disclosed
EP-2799460-A1 EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIALS, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2014-11-05 EP disclosed
CN-102822227-B Epoxy resin composition for use in a carbon-fiber-reinforced composite material, prepreg, and carbon-fiber-reinforced composite material TORAY INDUSTRIES 2014-11-05 CN disclosed
US-20140309337-A1 EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIALS, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2014-10-16 US disclosed
CN-102822227-A Epoxy resin composition for use in a carbon-fiber-reinforced composite material, prepreg, and carbon-fiber-reinforced composite material TORAY INDUSTRIES 2012-12-12 CN disclosed
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 WO disclosed
US-4064179-A CHEMICAL INTERMEDIATES GENERAL ELECTRIC COMPANY (US) 1977-12-20 US disclosed
US-3952063-A Process for the preparation of an organomercaptophenol from sulfur, a phenol, and an activated olefin or an epoxy compound GENERAL ELECTRIC COMPANY (US) 1976-04-20 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-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA CYP1A2 3409/4885KMT2A 4357/4885GAA 782/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR CYP1A2 567/4885KMT2A 1589/4885GAA 178/4885

“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.