SCHEMBL544575

SCHEMBL544575

C/C(=C\c1cc(C)cc(C)c1O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
AKR1C3 P42330 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SLC9A3 P48764 2/20 0.36
SLC9A1 P19634 1/20 0.36
APEX1 P27695 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 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
SCHEMBL544577 1.00 ERN1 (0.42) ERN1AKR1C3KDM4EALDH1A1LMNA
SCHEMBL1681466 0.84 SLC9A3 (0.42) ERN1KDM4EALDH1A1LMNAGAA
SCHEMBL17037295 0.84 ERN1 (0.44) ERN1KDM4EALDH1A1LMNAGAA
SCHEMBL6373525 0.78 ERN1 (0.39) ERN1KDM4EALDH1A1LMNAGAA
SCHEMBL632366 0.77 AKR1C3 (0.45) AKR1C3KDM4EALDH1A1LMNAMAPT
SCHEMBL632365 0.77 AKR1C3 (0.45) AKR1C3KDM4EALDH1A1LMNAMAPT
SCHEMBL14319659 0.76 SLC9A3 (0.47) AKR1C3KDM4EALDH1A1LMNAGAA
SCHEMBL1389544 0.76 SLC9A3 (0.47) AKR1C3KDM4ELMNAMAPTSLC9A3
SCHEMBL17041936 0.76 AKR1C3 (0.53) AKR1C3CYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL27980252 0.74 ALDH1A1 (0.52) ERN1KDM4EALDH1A1LMNAGAA

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 ERN1 2741/4885AKR1C3 1364/4885KDM4E 1250/4885

“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.