SCHEMBL3940152

SCHEMBL3940152

CCOc1ccc(/C(=C/C=C/C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.59
CYP1B1 Q16678 5/20 0.59
MAOB P27338 5/20 0.59
PARP10 Q53GL7 1/20 0.46
PLK1 P53350 1/20 0.43
MAOA P21397 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PLA2G4B P0C869 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3940151 1.00 CYP1A1 (0.59) CYP1A1CYP1B1MAOBPARP10PLK1
SCHEMBL3940154 1.00 CYP1A1 (0.59) CYP1A1CYP1B1MAOBPARP10PLK1
SCHEMBL4088098 0.90 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL4088102 0.90 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL4088100 0.90 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPLK1NR4A1
SCHEMBL3938871 0.89 PARP10 (0.56) MAOBPARP10PLK1MAOAPLA2G4B
SCHEMBL3938861 0.89 PARP10 (0.56) MAOBPARP10PLK1MAOAPLA2G4B
SCHEMBL3940434 0.89 CYP1A1 (0.49) CYP1A1CYP1B1MAOBNR4A2KMT2A
SCHEMBL3940433 0.89 CYP1A1 (0.49) CYP1A1CYP1B1MAOBNR4A2KMT2A
SCHEMBL3940428 0.89 CYP1A1 (0.49) CYP1A1CYP1B1MAOBNR4A2KMT2A

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.