SCHEMBL544833

SCHEMBL544833

COC(=O)C=Cc1cc(OC)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BACE1 P56817 1/20 0.42
MAOB P27338 2/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TNFRSF1A P19438 1/20 0.41

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
SCHEMBL30186532 0.79 CA1 (0.67) CA1CA2MAPTALDH1A1MEN1
SCHEMBL311610 0.79 CA1 (0.67) CA1CA2MAPTALDH1A1MEN1
SCHEMBL5712558 0.77 GABBR2 (0.64) CA1CA2ALDH1A1CYP1A2CYP2C9
SCHEMBL5712559 0.77 GABBR2 (0.64) CA1CA2ALDH1A1CYP1A2CYP2C9
SCHEMBL544834 0.74 CA1 (0.56) CA1CA2ALDH1A1CYP1A2TNFRSF1A
SCHEMBL39130 0.74 CA2 (1.00) CA1CA2MAPTALDH1A1MEN1
SCHEMBL544907 0.73 MAPT (0.71) CA1CA2MAPTALDH1A1MEN1
SCHEMBL11216290 0.71 ALDH1A1 (0.46) CA1CA2MAPTALDH1A1MEN1
SCHEMBL6365095 0.71 ALDH1A1 (0.46) CA1CA2MAPTALDH1A1MEN1
SCHEMBL11216286 0.71 ALDH1A1 (0.46) CA1CA2MAPTALDH1A1MEN1

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 3886/4885MAPT 1101/4885

“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.