SCHEMBL1136401

SCHEMBL1136401

C1=CC(OC2C=Cc3cccc4cccc2c34)c2cccc3cccc1c23

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Hydrogen Sulfide SCHEMBL28736850 0.98 ALDH1A1 (0.31) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
Water SCHEMBL27155119 0.98 ALDH1A1 (0.31) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
Formaldehyde SCHEMBL27413455 0.95
Sulfur Dioxide SCHEMBL27330059 0.93
Sulfur Dioxide SCHEMBL28540996 0.92
Cyanate SCHEMBL28241407 0.90
SCHEMBL28322233 0.90
SCHEMBL22498680 0.86
SCHEMBL9793437 0.85 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL28944661 0.85 MEN1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459583-B Product comprising poly- (phenylene ether)-polysiloxane copolymer compositions 沙特基础工业全球技术有限公司 2019-08-09 CN claimed
CN-108290398-A Including the composite material and laminate prepared therefrom of poly- (phenylene ether) and the method for forming composite material 沙特基础工业全球技术有限公司 2018-07-17 CN claimed
EP-3180189-B1 LINED PIPES AND FITTINGS, ASSOCIATED FORMING METHOD, AND METHOD OF IMPROVING THE CHLORINE RESISTANCE OF HIGH DENSITY POLYETHYLENE PIPES SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-03-28 EP claimed
CN-104254558-B Poly(phenylene ether) copolymer and method of making 沙特基础全球技术有限公司 2017-02-22 CN claimed
CN-106255709-A Amphiphilic block copolymer, a combination thereof thing, film and separation assembly and preparation method thereof 沙特基础工业全球技术有限公司 2016-12-21 CN claimed
CN-105849176-A Polyolefin composition with poly(phenylene ether) filler and article thereof 沙特基础工业全球技术有限公司 2016-08-10 CN claimed
CN-105612204-A Varnish and prepreg and laminate prepared therefrom ISOLA USA CORP 2016-05-25 CN claimed
EP-2726515-B1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NAT RECH SCIENT (FR) 2015-04-01 EP claimed
EP-1319040-B1 POLYMER-ORGANOCLAY COMPOSITE COMPOSITIONS, METHOD FOR MAKING AND ARTICLES THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2014-08-20 EP claimed
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-24 US claimed
EP-0667029-A4 THIXOTROPIC MAGNETORHEOLOGICAL MATERIALS. LORD CORP (US) 1995-06-13 EP claimed
WO-1994010693-A1 THIXOTROPIC MAGNETORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1994-05-11 WO claimed
US-5302429-A Thermoplastic polymer compositions containing high molecular weight poly(vinyl aromatic) melt-rheology modifiers ROHM AND HAAS COMPANY (US) 1994-04-12 US claimed
EP-0532893-A2 Depolymerization of polymers and their use in thermoset compositions and composites HERCULES INCORPORATED (US) 1993-03-24 EP claimed
US-5164434-A Sulfide compound for thermal and/or oxidative stabilization of polymers ROHM AND HAAS COMPANY (US) 1992-11-17 US claimed
US-5102952-A Blend with high molecular weight vinyl aromatic polymers ROHM AND HAAS COMPANY (US) 1992-04-07 US claimed
EP-0475038-A2 Poly(phenylene sulfide) resin compositions GE PLASTICS JAPAN LIMITED (JP) 1992-03-18 EP claimed
EP-0472913-A2 Poly(phenylene sulfide) resin compositions GE PLASTICS JAPAN LIMITED (JP) 1992-03-04 EP claimed
CN-1052873-A The quaternary ammonium polyaramide, product that makes by them and their preparation method DU PONT (US) 1991-07-10 CN claimed
EP-0411823-A1 Thermoplastic polymer compositions containing melt-rheology modifiers ROHM AND HAAS COMPANY (US) 1991-02-06 EP claimed

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-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES ALK, TST, TEKT1 ALDH1A1 861/4885CYP1A1 293/4885CYP1A2 274/4885

“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.