SCHEMBL7799735

SCHEMBL7799735

OC/C=C/C#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
IDO1 P14902 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MGLL Q99685 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
FFAR1 O14842 1/20 0.32
PTGS1 P23219 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL7799739 1.00 KIF11 (0.38) KIF11MAOBAOC3IDO1CES2
SCHEMBL5633252 0.85 PPARD (0.35) FFAR1
SCHEMBL5633249 0.85 PPARD (0.35) FFAR1
SCHEMBL6780294 0.80 FFAR1 (0.39) FFAR1
SCHEMBL6780291 0.80 FFAR1 (0.39) FFAR1
SCHEMBL7807027 0.76 NR4A1 (0.44) KIF11MAOBCES2CES1EGLN1
SCHEMBL7808492 0.76 NR4A1 (0.44) KIF11MAOBCES2CES1EGLN1
SCHEMBL5480351 0.76 APP (0.44) CYP1A2FFAR1
SCHEMBL5483934 0.76 APP (0.44) CYP1A2FFAR1
SCHEMBL5480347 0.76 APP (0.44) CYP1A2FFAR1

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 KIF11 3036/4885MAOB 2498/4885AOC3 899/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 KIF11 1912/4885MAOB 2048/4885AOC3 735/4885

“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.