SCHEMBL16634443

SCHEMBL16634443

CCOC(=O)c1c(CC)nc(-c2cc(F)cc(F)c2)n(CCOC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.42
TSHR P16473 4/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 10/20 0.41
CYP3A4 P08684 7/20 0.41
ALDH1A1 P00352 8/20 0.41
CYP2C9 P11712 6/20 0.41
CYP2C19 P33261 4/20 0.41
HPGD P15428 4/20 0.41
CASP1 P29466 8/20 0.41
CASP7 P55210 8/20 0.41
USP2 O75604 5/20 0.41
HIF1A Q16665 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 2/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 2/20 0.38

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
SCHEMBL9895612 0.78 HSD17B10 (0.45) HSD17B10TSHRGAACYP1A2CYP3A4
SCHEMBL9895127 0.70 CYP1A2 (0.47) HSD17B10TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL14715247 0.68 CYP1A2 (0.46) HSD17B10TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL13735690 0.67 CYP1A2 (0.43) HSD17B10TSHRGAACYP1A2CYP3A4
SCHEMBL13733869 0.67 CYP1A2 (0.48) HSD17B10TSHRGAACYP1A2CYP3A4
SCHEMBL13737839 0.66 CYP1A2 (0.48) HSD17B10TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL21647437 0.66 KDM4E (0.49) HSD17B10TSHRGAAALDH1A1HPGD
SCHEMBL13733863 0.66 CYP1A2 (0.43) HSD17B10TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL13736743 0.65 CYP1A2 (0.49) HSD17B10TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL14846764 0.65 TSHR (0.45) TSHRGAAALDH1A1USP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630928-B2 Intermediates to prepare herbicidal pyrimidone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-25 US disclosed
EP-2475654-B1 HERBICIDAL PYRIMIDONE DERIVATIVES DU PONT (US) 2016-12-28 EP disclosed
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2016-01-28 US disclosed
US-9187432-B2 Intermediates to prepare herbicidal pyrimidone derivatives E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-17 US disclosed
US-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES FMC CORPORATION 2015-04-16 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 (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-20150105549-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, MSRB3 HSD17B10 1461/4885TSHR 687/4885GAA 2374/4885
US-20160024020-A1 INTERMEDIATES TO PREPARE HERBICIDAL PYRIMIDONE DERIVATIVES CBR3, CBR1, PNPO HSD17B10 1358/4885TSHR 982/4885GAA 2224/4885

“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.