SCHEMBL7799649

SCHEMBL7799649

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
FBP1 P09467 1/20 0.50
HDAC3 O15379 1/20 0.49
ADAM17 P78536 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
AHR P35869 1/20 0.47
PTGS1 P23219 1/20 0.47
NQO2 P16083 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A1 P04798 3/20 0.44

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
SCHEMBL7987955 1.00 CYP1A2 (0.53) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL7806244 1.00 CYP1A2 (0.53) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL7799651 1.00 CYP1A2 (0.53) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL7806247 1.00 CYP1A2 (0.53) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL1224353 0.92 CYP1A2 (0.57) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL1922783 0.92 CYP1A2 (0.57) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL28777799 0.87 CYP1A2 (0.55) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL9970464 0.87 CYP1A2 (0.59) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL6418950 0.82 MAOB (0.58) CYP1A2FBP1HDAC3ADAM17HDAC1
SCHEMBL7609956 0.79 CYP1A1 (0.59) CYP1A2FBP1HDAC3ADAM17HDAC1

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 CYP1A2 21/4885FBP1 1923/4885HDAC3 29/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 CYP1A2 151/4885FBP1 1079/4885HDAC3 62/4885

“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.