SCHEMBL4097916

SCHEMBL4097916

COc1ccc(/C(=C\C=C\C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.56
CYP1B1 Q16678 6/20 0.56
MAOB P27338 3/20 0.56
GPR183 P32249 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGS1 P23219 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 1/20 0.42
PTAFR P25105 1/20 0.42

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
SCHEMBL4097921 1.00 CYP1A1 (0.56) CYP1A1CYP1B1MAOBGPR183NR4A1
SCHEMBL4097918 1.00 CYP1A1 (0.56) CYP1A1CYP1B1MAOBGPR183NR4A1
SCHEMBL3940795 0.89 THRB (0.54) CYP1B1MAOBTHRBATMMAPT
SCHEMBL3940784 0.89 THRB (0.54) CYP1B1MAOBTHRBATMMAPT
SCHEMBL3939191 0.89 NR4A1 (0.51) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL3939194 0.89 NR4A1 (0.51) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL3942285 0.88 CYP1A1 (0.48) CYP1A1CYP1B1MAOBKDRPTAFR
SCHEMBL3942276 0.88 CYP1A1 (0.48) CYP1A1CYP1B1MAOBKDRPTAFR
SCHEMBL3942282 0.88 CYP1A1 (0.48) CYP1A1CYP1B1MAOBKDRPTAFR
SCHEMBL3940772 0.87 NR4A1 (0.43) CYP1A1CYP1B1MAOBNR4A1NR4A2

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 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-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.