SCHEMBL839666

SCHEMBL839666

[CH2]C(CC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
RIPK1 Q13546 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK1 P28482 1/20 0.35
HRH1 P35367 2/20 0.35
CACNA1F O60840 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
CACNA1D Q01668 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7024056 0.78 TAAR1 (0.48) TAAR1RIPK1MAPK1CYP3A4CYP2D6
SCHEMBL1019329 0.78 RIPK1 (0.52) TAAR1RIPK1MAPK1HRH1CACNA1F
SCHEMBL6681969 0.74 TAAR1 (0.54) TAAR1RIPK1MAPK1CYP3A4CYP2D6
SCHEMBL11597386 0.73 TAAR1 (0.44) TAAR1MAPK1HRH1CACNA1FOPRK1
SCHEMBL11271418 0.73 MTNR1A (0.46) TAAR1MAPK1SLC6A3LMNAALDH1A1
Magnesium Chloride Anhydrous SCHEMBL28597991 0.73 TAAR1 (0.40) TAAR1RIPK1CNR1CNR2MAPK1
SCHEMBL28188785 0.72 HTR2A (0.36) TAAR1RIPK1HRH1CYP3A4CYP2C19
SCHEMBL9858439 0.72 TAAR1 (0.47) TAAR1MAPK1CACNA1FOPRK1CACNA1D
SCHEMBL10831632 0.71 TAAR1 (0.56) TAAR1SLC6A3HTR2A
SCHEMBL4399836 0.71 TAAR1 (0.50) TAAR1RIPK1MAPK1CACNA1FOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6033597-A COMPOUNDING AGENT COMPRISING A MIXTURE OF A POLYSILOXANE HAVING AN ALKOXYSILYL GROUP; AND A SULFUR CONTAINING SILANE COUPLER. THE YOKOHAMA RUBBER CO., LTD. (JP) 2000-03-07 US claimed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
US-20210071006-A1 AQUEOUS DISPERSION OF COLORED PARTICLES MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2021-03-11 US disclosed
EP-3725854-A1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2020-10-21 EP disclosed
US-8142767-B2 Cosmetic hair composition MOMENTIVE PERFORMANCE MATERIALS JAPAN LLC (JP) 2012-03-27 US disclosed
US-20100310618-A1 COSMETIC HAIR COMPOSITION GE TOSHIBA SILICONES CO., LTD 2010-12-09 US disclosed
US-20070122369-A1 Cosmetic hair composition GE TOSHIBA SILICONES CO., LTD 2007-05-31 US disclosed
EP-1702974-A1 COSMETIC HAIR COMPOSITION GE TOSHIBA SILICONES CO., LTD. (JP) 2006-09-20 EP disclosed
JP-2004256660-A NOVEL POLYORGANOSILOXANE AND ITS PRODUCTION METHOD GE TOSHIBA SILICONES CO LTD 2004-09-16 JP disclosed
JP-2004256661-A POLYETHER-MODIFIED POLYORGANOSILOXANE, ITS PRODUCTION METHOD, AND SKIN COSMETIC GE TOSHIBA SILICONES CO LTD 2004-09-16 JP disclosed
EP-0761748-B1 Polysiloxane-containing rubber composition YOKOHAMA RUBBER CO LTD (JP) 2004-05-19 EP disclosed
US-6525110-B1 Silica containing vulcanizing rubber for tire treads; improved processability; low heat generation, abrasion resistance THE YOKOHAMA RUBBER CO., LTD. (JP) 2003-02-25 US disclosed
US-6337361-B1 RUBBER WITH SILICA, SILANE COUPLER AND INERT POWDER THE YOKOHAMA RUBBER CO., LTD. (JP) 2002-01-08 US disclosed
US-6177505-B1 IMPROVES THE PROCESSABILITY OF THE UNVULCANIZED RUBBER COMPOSITION, WITHOUT SUBSTANTIALLY IMPAIRING THE PROPERTIES OF THE SILICA-CONTAINING VULCANIZING RUBBER COMPOSITION THE YOKOHAMA RUBBER CO., LTD. (JP) 2001-01-23 US disclosed
US-6121347-A A REINFORCING FILLER COMPRISING INERT POWDER COUPLED WITH A SILANE COUPLING AGENT TO A POLYSILOXANE RESIN OR A SILOXANE COMPOUND; IMPROVING LOW HEAT GENERATION, THE MODULUS AND THE ABRASION RESISTANCE OF THE RUBBER THE YOKOHAMA RUBBER CO., LTD. (JP) 2000-09-19 US disclosed
US-6033597-A COMPOUNDING AGENT COMPRISING A MIXTURE OF A POLYSILOXANE HAVING AN ALKOXYSILYL GROUP; AND A SULFUR CONTAINING SILANE COUPLER. THE YOKOHAMA RUBBER CO., LTD. (JP) 2000-03-07 US disclosed
EP-0761748-A2 Polysiloxane-containing rubber composition THE YOKOHAMA RUBBER CO., LTD. (JP) 1997-03-12 EP 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-20100310618-A1 COSMETIC HAIR COMPOSITION POLR1C, CUTA, PIK3C3 TAAR1 693/4885RIPK1 3306/4885CNR1 3746/4885
US-20070122369-A1 Cosmetic hair composition POLR1C, CUTA, PIK3C3 TAAR1 693/4885RIPK1 3306/4885CNR1 3746/4885

“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.