SCHEMBL2893593

SCHEMBL2893593

Oc1ccc2c(Sc3cccc4cc(O)ccc34)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.47
ESR2 Q92731 8/20 0.47
CYP1A2 P05177 2/20 0.46
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
TLR8 Q9NR97 1/20 0.44
NQO2 P16083 1/20 0.42
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4358167 0.88 ESR1 (0.47) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL4358162 0.84 ESR1 (0.45) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL26856146 0.80 ESR1 (0.42) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL31435109 0.80 HSD17B1 (0.42) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL5960512 0.76 ESR2 (0.61) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL15451 0.76 HSD17B1 (0.70) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL29738652 0.76 HSD17B1 (0.70) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL31001037 0.76 ESR2 (0.61) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL29364213 0.76 HSD17B1 (0.70) ESR1ESR2CYP1A2HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL29701293 0.74 HSD17B1 (0.68) ESR1ESR2CYP1A2HSD17B1HSD17B2

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-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US claimed
US-5491178-A STABILIZING, INHIBITING THE DEHYDROGENATION BY APPLYING A COATING MIXTURE COMPRISING HINDERED PHENOLS, ORGANIC SULFIDES OR DISULFIDES AND TRANSITION METAL SALTS OR COMPLEXES ALLIEDSIGNAL INC. (US) 1996-02-13 US claimed
US-8854617-B2 Compounds and markers for surface-enhanced Raman scattering JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2014-10-07 US disclosed
EP-2193374-B1 MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING UNIV WUERZBURG J MAXIMILIANS (DE) 2013-10-23 EP disclosed
US-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS- UNIVERSITAT (DE) 2010-11-11 US disclosed
EP-2193374-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING Julius-Maximilians-Universität Würzburg (DE) 2010-06-09 EP disclosed
WO-2009040114-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-04-02 WO disclosed
EP-2040075-A1 Compounds and markers for surface-enhanced raman scattering Julius-Maximilians-Universität Würzburg (DE) 2009-03-25 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-0773977-B1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIED SIGNAL INC (US) 2000-04-05 EP disclosed
EP-0909797-A1 Stabilizers for vinyl ether-based coating systems AlliedSignal Inc. (US) 1999-04-21 EP disclosed
WO-1998005721-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1998-02-12 WO disclosed
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
EP-0773977-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS AlliedSignal Inc. (US) 1997-05-21 EP disclosed
US-5539014-A Adhesion promoters for vinyl ether-based coating systems ALLIEDSIGNAL INC. (US) 1996-07-23 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed
WO-1996006142-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1996-02-29 WO disclosed
US-5491178-A STABILIZING, INHIBITING THE DEHYDROGENATION BY APPLYING A COATING MIXTURE COMPRISING HINDERED PHENOLS, ORGANIC SULFIDES OR DISULFIDES AND TRANSITION METAL SALTS OR COMPLEXES ALLIEDSIGNAL INC. (US) 1996-02-13 US disclosed
WO-1996002596-A1 COUPLING AGENTS FOR VINYL ETHER-BASED COATING SYSTEMS ALLIEDSIGNAL INC. (US) 1996-02-01 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 (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-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING EPCAM, SELE, CD44 ESR1 332/4885ESR2 130/4885CYP1A2 304/4885

“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.