SCHEMBL544906

SCHEMBL544906

COc1ccc(O)c(/C=C(\C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.60
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
ALDH1A1 P00352 2/20 0.47
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
BACE1 P56817 2/20 0.47
APP P05067 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL544908 1.00 ERN1 (0.60) ERN1GABRA3GABRA2GABRB2CA2
SCHEMBL9358828 0.87 TRIM24 (0.60) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7138832 0.84 JUN (0.58) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9358863 0.81 ERN1 (0.53) ERN1GABRA3GABRA2GABRB2CA2
SCHEMBL1416591 0.80 EGFR (0.58) CA2CA1ALDH1A1HPGDMAPT
SCHEMBL706050 0.79 ALDH1A1 (0.45) ALDH1A1TRIM24TYRTRIM33CYP3A4
SCHEMBL706049 0.79 ALDH1A1 (0.45) ALDH1A1TRIM24TYRTRIM33CYP3A4
SCHEMBL8746634 0.78 AKR1C3 (0.53) CA2CA1ALDH1A1CYP3A4HPGD
SCHEMBL3423297 0.78 AKR1C3 (0.53) CA2CA1ALDH1A1CYP3A4HPGD
SCHEMBL9359090 0.76 USP2 (0.45) ERN1CA2CA1CYP3A4MAPK1

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 8 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
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed
EP-0489836-A4 LIGHT ACTIVATED ACYL-ENZYMES 1993-05-26 EP disclosed
EP-0489836-A1 LIGHT ACTIVATED ACYL-ENZYMES. UNIV DUKE (US) 1992-06-17 EP disclosed
US-5114851-A Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis DUKE UNIVERSITY (US) 1992-05-19 US disclosed
WO-1991003549-A1 LIGHT ACTIVATED ACYL-ENZYMES DUKE UNIVERSITY (US) 1991-03-21 WO 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 ERN1 2741/4885GABRA3 3159/4885GABRA2 3181/4885

“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.