SCHEMBL7808441

SCHEMBL7808441

O=C(O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ MAPK1 P28482 1/20 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
SCHEMBL7808443 1.00 ALDH1A1 (0.48) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL3651603 0.83 CA1 (0.47) ALDH1A1CA1CA2CES2CES1
SCHEMBL3651604 0.83 CA1 (0.47) ALDH1A1CA1CA2CES2CES1
SCHEMBL9575084 0.82 CES1 (0.54) ALDH1A1TSHRCA1CA2CES2
SCHEMBL3052475 0.82 CES1 (0.54) ALDH1A1TSHRCA1CA2CES2
SCHEMBL3052477 0.82 CES1 (0.54) ALDH1A1TSHRCA1CA2CES2
SCHEMBL7807046 0.80 ALOX15 (0.41) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL7807050 0.80 ALOX15 (0.41) ALDH1A1LMNAGAAALOX15TSHR
SCHEMBL27486091 0.80 LMNA (0.43) ALDH1A1LMNAGAACA1CA2
SCHEMBL21275410 0.77 CA1 (0.50) ALDH1A1LMNACA1CA2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 — — US disclosed
US-20010031778-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 — — US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 — — US disclosed
US-6300357-B1 FOR THERAPY OF MYCOTIC DISEASE OF A HUMAN BEING AND AN ANIMAL SANKYO COMPANY, LIMITED (JP) 2001-10-09 — — US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 — — EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 — — US disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 — — 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-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 ALDH1A1 1123/4885LMNA 4508/4885GAA 1679/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 ALDH1A1 893/4885LMNA 4677/4885GAA 885/4885

“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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