SCHEMBL23309630

SCHEMBL23309630

O=C(OCCC(F)(F)F)c1cc(F)nc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC13A3 Q8WWT9 1/20 0.35
▸ SERPINE1 P05121 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL23309560 0.85 PLAT (0.37) PLATRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL23309579 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10TSHR
SCHEMBL23309544 0.78 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL23309561 0.77 USP2 (0.40) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23309552 0.77 TSHR (0.54) RAB9AKDM4EALDH1A1HSD17B10TSHR
SCHEMBL23309629 0.77 CYP3A4 (0.34) ALDH1A1HSD17B10TSHR
SCHEMBL23309549 0.77 CYP3A4 (0.34) ALDH1A1HSD17B10TSHR
SCHEMBL23309648 0.76 NPC1 (0.51) HSD17B10TSHR
SCHEMBL23309661 0.75 CYP3A4 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL23309619 0.73 NPC1 (0.40) RAB9AKDM4EALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 — — 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 (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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL PLAT 4449/4885RAB9A 286/4885SLC13A3 4610/4885

“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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