SCHEMBL308613

SCHEMBL308613

CC(C)(c1ccccc1)c1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL21624956 0.88 MAPT (0.39) ALDH1A1CYP3A4ESR1ESR2TSHR
SCHEMBL10492644 0.85 ALDH1A1 (0.39) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL11020376 0.83 SMN1; SMN2 (0.47) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL10492504 0.82 ESR1 (0.43) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL3751989 0.79 CYP3A4 (0.45) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL11022580 0.78 KIF11 (0.43) ALDH1A1CYP3A4ESR1ESR2TAAR1
Hydrochloric Acid SCHEMBL3291595 0.78 CYP3A4 (0.43) ALDH1A1CYP3A4ESR1ESR2TAAR1
Bromide SCHEMBL7776359 0.78 CYP3A4 (0.43) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL10492679 0.76 CYP3A4 (0.38) ALDH1A1CYP3A4ESR1ESR2TAAR1
SCHEMBL29697590 0.75 ESR1 (0.49) ALDH1A1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503774-B1 Optical recording medium CANON KK (JP) 1997-05-14 EP claimed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
US-8642690-B2 Bis [tri (hydroxypolyalkyleneoxy) silylalkyl] polysulfide, method of manufacturing bis [tri (hydroxypolyalkyleneoxy) silylalkyl] polysulfide, tire rubber additive, and tire rubber composition DOW CORNING CORPORATION (US) 2014-02-04 US disclosed
US-8093323-B2 Method for manufacturing a bis(silatranylalkyl) polysulfide, method for manufacturing a mixture of bis(silatranylalkyl) polysulfide etc., a mixture of bis(silatranylalkyl) polysulfide etc., and rubber composition DOW CORNING TORAY COMPANY, LTD. (JP) 2012-01-10 US disclosed
US-20110040000-A1 Bis [Tri (Hydroxypolyalkyleneoxy) Silylalkyl] Polysulfide, Method of Manufacturing Bis [Tri (Hydroxypolyalkyleneoxy) Silylalkyl] Polysulfide, Tire Rubber Additive, And Tire Rubber Composition DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-17 US disclosed
EP-2125836-B1 BISÝTRI(HYDROXYPOLYALKYLENEOXY)SILYLALKYL¨POLYSULFIDE, METHOD OF MANUFACTURING BISÝTRI(HYDROXYPOLYALKYLENEOXY)SILYLALKYL¨POLYSULFIDE, TIRE RUBBER ADDITIVE, AND TIRE RUBBER COMPOSITION DOW CORNING TORAY CO LTD (JP) 2010-09-22 EP disclosed
US-20100120950-A1 Method for Manufacturing A Bis(Silatranylalkyl) Polysulfide, Method for Manufacturing a Mixture of Bis(Silatranylalkyl) Polysulfide etc., A Mixture of Bis(Silatranylalkyl) Polysulfide etc., and Rubber Composition DOW CORNING TORAY COMPANY, LTD. (JP) 2010-05-13 US disclosed
CN-101451005-A Antishock insulation rubber member for high-tension cable JICHAO WANG (CN) 2009-06-10 CN disclosed
US-5046542-A Radial tires for construction vehicles including tread cap and divided tread base BRIDGESTONE CORPORATION (JP) 1991-09-10 US disclosed
US-5043388-A Mixing vulcanizable rubber, fiber forming polyamide, and alkylphenol-formaldehyde resole; controlled temperature extrusion UBE INDUSTRIES, INC. (JP) 1991-08-27 US disclosed
US-5034465-A Butadiene-styrene copolymers and hydrogenated copolymers for tires BRIDGESTONE CORPORATION (JP) 1991-07-23 US disclosed
US-4598110-A MOLDING MATERIALS KANEBO LTD. (JP) 1986-07-01 US disclosed
US-4596845-A Spherical particles of diameters of 0.1 to 150 microns, filler KANEBO LTD. (JP) 1986-06-24 US disclosed
US-4558089-A STORAGE-STABLE AND FREE-FLOWING RUBBERY THERMOPLASTIC MOLDING MATERIALS KANEBO LTD. (JP) 1985-12-10 US disclosed
US-4476277-A IN A THERMOPLASTIC RESIN-MOLDING MATERIAL KANEBO LTD. (JP) 1984-10-09 US disclosed
US-4300970-A Method of bonding vulcanized rubber to resin BRIDGESTONE TIRE COMPANY LIMITED (JP) 1981-11-17 US disclosed
US-4257468-A P-PHENYLENDIAMINE TYPE ANTIOXIDANT BRIDGESTONE TIRE COMPANY LIMITED (JP) 1981-03-24 US disclosed
US-3979358-A MERCAPTOBENZO-1,3-DIAZOLE, PHENYLENEDIAMINE COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1976-09-07 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-20100120950-A1 Method for Manufacturing A Bis(Silatranylalkyl) Polysulfide, Method for Manufacturing a Mixture of Bis(Silatranylalkyl) Polysulfide etc., A Mixture of Bis(Silatranylalkyl) Polysulfide etc., and Rubber Composition TST, SGMS2, SSR3 ALDH1A1 2868/4885CYP3A4 2101/4885ESR1 4428/4885
US-20110040000-A1 Bis [Tri (Hydroxypolyalkyleneoxy) Silylalkyl] Polysulfide, Method of Manufacturing Bis [Tri (Hydroxypolyalkyleneoxy) Silylalkyl] Polysulfide, Tire Rubber Additive, And Tire Rubber Composition TMSB10, SSR1, HPSE ALDH1A1 3498/4885CYP3A4 2297/4885ESR1 2802/4885

“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.