SCHEMBL18284622

SCHEMBL18284622

COc1cccc(C#N)c1CCCCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.42
▸ PGR P06401 2/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KCNN4 O15554 1/20 0.35

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
SCHEMBL24786607 0.83 SCN9A (0.36) ARPGRNR3C1NR3C2POLB
SCHEMBL18284619 0.78 AR (0.38) ARPGRSCN9ATSHR
SCHEMBL18284583 0.78 HTR2A (0.38) NR3C1SMN1; SMN2HTR2AALDH1A1
SCHEMBL29551260 0.78 CYP1A2 (0.37) ARSMN1; SMN2SCN9ACNR2
SCHEMBL18284593 0.78 CYP1A2 (0.37) ARSMN1; SMN2SCN9ACNR2
SCHEMBL22978912 0.76 AR (0.41) ARPGRNR3C1NR3C2POLB
SCHEMBL29513499 0.76 AR (0.41) ARPGRNR3C1NR3C2POLB
SCHEMBL23235876 0.74 HTR2A (0.43) ARSMN1; SMN2POLBGAAHTR2A
SCHEMBL16884618 0.74 POLB (0.46) ARSMN1; SMN2POLBGAAHTR2A
SCHEMBL9867349 0.73 CA12 (0.41) SMN1; SMN2HTR2ASCN9AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943486-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES FMC Corporation (US) 2022-01-26 — — EP disclosed
US-20210300879-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORP (US) 2021-09-30 — — US disclosed
US-11053204-B2 Pyrimidinyloxy benzene derivatives as herbicides FMC CORPORATION (US) 2021-07-06 — — US disclosed
US-20180105501-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES FMC CORPORATION 2018-04-19 — — US disclosed
EP-3303305-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E. I. du Pont de Nemours and Company (US) 2018-04-11 — — EP disclosed
WO-2016196606-A1 2-(PHENYLOXY OR PHENYLTHIO)PYRIMIDINE DERIVATIVES AS HERBICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2016-12-08 — — 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 (3 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-20180105501-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, CBR3, CYP1B1 AR 2785/4885PGR 964/4885NR3C1 1195/4885
US-11053204-B2 Pyrimidinyloxy benzene derivatives as herbicides DDT, CBR3, CYP1B1 AR 2785/4885PGR 964/4885NR3C1 1195/4885
US-20210300879-A1 PYRIMIDINYLOXY BENZENE DERIVATIVES AS HERBICIDES DDT, CBR3, CYP1B1 AR 2785/4885PGR 964/4885NR3C1 1195/4885

“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.

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