SCHEMBL18622663

SCHEMBL18622663

NCCNc1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ FERMT2 Q96AC1 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
SCHEMBL14122137 0.87 CHRM2 (0.48) GAAEPHX2IDO1GBA1DDB1
SCHEMBL7736582 0.83 GAA (0.43) GAAEPHX2GBA1DDB1CRBN
SCHEMBL6230288 0.83 GAA (0.43) ALDH1A1GAAEPHX2IDO1GBA1
SCHEMBL7733811 0.83 GBA1 (0.54) TSHRGAAEPHX2GBA1DDB1
SCHEMBL10885547 0.80 CA12 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL18646045 0.79 GAA (0.40) GAAEPHX2GBA1DDB1CRBN
SCHEMBL2093975 0.79 CHRM2 (0.49) GAAEPHX2GBA1DDB1CRBN
SCHEMBL6235230 0.79 GAA (0.45) ALDH1A1GAAEPHX2IDO1GBA1
SCHEMBL5800488 0.77 CHRM2 (0.62) CA12CA3CA4CA6CA5A
SCHEMBL29573342 0.76 GAA (0.49) ALDH1A1GAAEPHX2GBA1DDB1

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-3347341-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-04-28 — — EP disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 — — US disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 — — US disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 — — US disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 — — US disclosed
WO-2017044314-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-16 — — 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 (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-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CA12 4010/4885CA3 2441/4885CA4 1651/4885

“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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