SCHEMBL3237142

SCHEMBL3237142

Cc1ccc(OCc2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.54
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SGMS2 Q8NHU3 1/20 0.48
PTGER1 P34995 3/20 0.47
PTGER4 P35408 3/20 0.47
PTGER3 P43115 3/20 0.47
PTGER2 P43116 3/20 0.47
ALOX5AP P20292 1/20 0.46
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 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
SCHEMBL14453588 0.86 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL12772068 0.84 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL7711466 0.84 RXRA (0.55) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL8459307 0.83 RXRA (0.69) MRGPRX4RXRARXRBRXRGSMN1; SMN2
SCHEMBL5367447 0.83 PTGDR2 (0.60) RXRARXRBRXRGALOX5APHTT
SCHEMBL686650 0.81 MAPT (0.58) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL9446223 0.81 RXRA (0.71) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL12956818 0.81 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL18618098 0.80 RXRA (0.48) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL27738669 0.80 MAPT (0.44) MRGPRX4RXRARXRBRXRGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 CN disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 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 (3 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 MRGPRX4 2675/4885RXRA 1451/4885RXRB 1700/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 MRGPRX4 2675/4885RXRA 1451/4885RXRB 1700/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 MRGPRX4 746/4885RXRA 1200/4885RXRB 880/4885

“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.