SCHEMBL544834

SCHEMBL544834

COc1cc(C=C(C)C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
EGFR P00533 1/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
VCAM1 P19320 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TNFRSF1A P19438 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
APEX1 P27695 2/20 0.35
CYP1A2 P05177 1/20 0.34
ESRRA P11474 1/20 0.34
ERN1 O75460 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
SCHEMBL9359090 0.81 USP2 (0.45) CA1CA2GAAERN1
SCHEMBL311610 0.79 CA1 (0.67) CA1CA2EGFRGABBR2GABBR1
SCHEMBL30186532 0.79 CA1 (0.67) CA1CA2EGFRGABBR2GABBR1
SCHEMBL544833 0.74 CA1 (0.56) CA1CA2EGFRGABBR2GABBR1
SCHEMBL39130 0.74 CA2 (1.00) CA1CA2EGFRALDH1A1GAA
SCHEMBL11303373 0.73 GABBR2 (0.58) CA1CA2EGFRGABBR2GABBR1
SCHEMBL11303376 0.73 GABBR2 (0.58) CA1CA2EGFRGABBR2GABBR1
SCHEMBL544906 0.73 ERN1 (0.60) CA1CA2ALDH1A1ERN1
SCHEMBL544908 0.73 ERN1 (0.60) CA1CA2ALDH1A1ERN1
SCHEMBL12673513 0.72 GPR55 (0.45) CA1CA2GLRA3GLRBVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110589-B2 Ectoparasiticide composition and a method for exterminating extoparasites KYOYU AGRI CO., LTD. (JP) 2012-02-07 US disclosed
US-20090312378-A1 ECTOPARASITICIDE COMPOSITION AND A METHOD FOR EXTERMINATING ECTOPARASITES YASHIMA SANGYO CO., LTD. (JP) 2009-12-17 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 (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-20090312378-A1 ECTOPARASITICIDE COMPOSITION AND A METHOD FOR EXTERMINATING ECTOPARASITES EPX, TYR, PPOX CA1 4517/4885CA2 3886/4885EGFR 4623/4885

“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.