SCHEMBL172744

SCHEMBL172744

Cc1cc(-c2cccs2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.58
HSD17B1 P14061 7/20 0.54
HSD17B2 P37059 7/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
KCNH2 Q12809 1/20 0.50
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.43
PGR P06401 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
SCHEMBL29744559 0.82 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2HDAC1
SCHEMBL9335104 0.82 KCNH2 (0.55) ERN1CYP3A4KCNH2HDAC1HDAC2
SCHEMBL6068103 0.82 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2HDAC1
SCHEMBL27813456 0.81 PTGS1 (0.50) ERN1CYP3A4KCNH2RPS6KB2
SCHEMBL17049365 0.81 ERN1 (0.62) ERN1KCNH2HDAC1HDAC2HDAC3
SCHEMBL7770514 0.79 ERN1 (0.55) ERN1KCNH2HDAC1HDAC2HDAC3
SCHEMBL1065997 0.78 KCNH2 (0.70) ERN1KCNH2HDAC1HDAC2HDAC3
SCHEMBL7056060 0.78 ERN1 (0.58) ERN1HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL13494207 0.78 KCNH2 (0.70) CYP3A4KCNH2HDAC1HDAC2HDAC3
SCHEMBL4628631 0.77 TNFRSF1A (0.60) ERN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032606-B Bisphenol composition and method for producing same, and polycarbonate resin and method for producing same 三菱化学株式会社 2024-01-30 CN disclosed
CN-112225681-B Preparation method of 2, 4-di (n-octylthiomethylene) -6-methylphenol 江苏极易新材料有限公司 2021-06-01 CN disclosed
CN-112225681-A Preparation method of 2, 4-di (n-octylthiomethylene) -6-methylphenol 江苏极易新材料有限公司 2021-01-15 CN disclosed
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 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 (4 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ERN1 2620/4885HSD17B1 231/4885HSD17B2 273/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ERN1 2842/4885HSD17B1 275/4885HSD17B2 324/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ERN1 2799/4885HSD17B1 233/4885HSD17B2 293/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ERN1 4490/4885HSD17B1 714/4885HSD17B2 878/4885

“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.