SCHEMBL17865381

SCHEMBL17865381

CC(C)CNC(=O)c1ccc(CCOc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
EPHX2 P34913 3/20 0.54
NR1H4 Q96RI1 1/20 0.54
MLYCD O95822 1/20 0.52
TRPV1 Q8NER1 10/20 0.50
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50

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
SCHEMBL17865384 0.89 ROCK2 (0.49) HPGDNPSR1EPHX2NR1H4MLYCD
SCHEMBL17660263 0.88 MLYCD (0.66) HPGDNPSR1EPHX2NR1H4MLYCD
SCHEMBL15839265 0.84 MEN1 (0.44) HPGDNPSR1EPHX2NR1H4TRPV1
SCHEMBL15835743 0.77 HPGD (0.41) HPGDNPSR1PPARGPPARA
SCHEMBL11758798 0.77 TRPV1 (0.76) EPHX2NR1H4MLYCDTRPV1PPARG
SCHEMBL17865392 0.76 HPGD (0.52) HPGDNPSR1MLYCDTRPV1PPARG
SCHEMBL17865388 0.76 NPSR1 (0.48) HPGDNPSR1MLYCDPPARGPPARA
SCHEMBL17865382 0.76 KMT2A (0.51) HPGDNPSR1
SCHEMBL15839350 0.76 PPARA (0.44) HPGDNPSR1MLYCDPPARA
SCHEMBL17865385 0.76 HPGD (0.47) HPGDNPSR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 EP 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 (2 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-10299475-B2 Pesticide DDT, ACHE, KCNH1 HPGD 4335/4885NPSR1 1003/4885EPHX2 1948/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 HPGD 4335/4885NPSR1 1003/4885EPHX2 1948/4885

“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.