SCHEMBL17865398

SCHEMBL17865398

CC(C)CNC(=O)c1ccc(CCOc2cccc(C#C[Si](C)(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR1 O14842 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL17865382 0.80 KMT2A (0.51) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL17865384 0.78 ROCK2 (0.49) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL15839319 0.74 ACACB (0.39) ACACBHPGDNPSR1KMT2AMEN1
SCHEMBL17865383 0.73 CYP2C9 (0.46) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL17865381 0.73 HPGD (0.57) HPGDNPSR1PPARGPPARA
SCHEMBL17865392 0.72 HPGD (0.52) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL17865388 0.72 NPSR1 (0.48) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL17865385 0.71 HPGD (0.47) HPGDNPSR1KMT2AMEN1PPARG
SCHEMBL17865394 0.69 HPGD (0.48) HPGDNPSR1KMT2AMEN1GAA
SCHEMBL1929655 0.69 GAA (0.69) ACACBHPGDKMT2AGAAHSD17B10

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 ACACB 3206/4885HPGD 4335/4885NPSR1 1003/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 ACACB 3206/4885HPGD 4335/4885NPSR1 1003/4885

“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.