SCHEMBL3945137

SCHEMBL3945137

O=C(O)/C=C/C=C(\c1ccc(OCCC2CC2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
MAOB P27338 3/20 0.42
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALOX5 P09917 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
LSS P48449 1/20 0.38
SLC6A5 Q9Y345 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
SCHEMBL3945141 1.00 CYP1A1 (0.44) CYP1A1CYP1B1MAOBPPARAPPARD
SCHEMBL3945139 1.00 CYP1A1 (0.44) CYP1A1CYP1B1MAOBPPARAPPARD
SCHEMBL3946767 0.90 PARP15 (0.50) CYP1A1CYP1B1MAOBALOX5
SCHEMBL3946765 0.90 PARP15 (0.50) CYP1A1CYP1B1MAOBALOX5
SCHEMBL3946769 0.90 PARP15 (0.50) CYP1A1CYP1B1MAOBALOX5
SCHEMBL3942820 0.90 MAOB (0.42) CYP1A1CYP1B1MAOBPPARAPPARD
SCHEMBL3942821 0.90 MAOB (0.42) CYP1A1CYP1B1MAOBPPARAPPARD
SCHEMBL3942823 0.90 MAOB (0.42) CYP1A1CYP1B1MAOBPPARAPPARD
SCHEMBL4088098 0.85 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPPARACTDSP1
SCHEMBL4088100 0.85 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPPARACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP1A1 916/4885CYP1B1 382/4885MAOB 747/4885

“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.