SCHEMBL3947596

SCHEMBL3947596

COCCOc1ccc(/C(=C\C=C\C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.48
CYP1B1 Q16678 6/20 0.48
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAOB P27338 4/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL3947600 1.00 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AHTTKDM4E
SCHEMBL3947604 1.00 CYP1A1 (0.48) CYP1A1CYP1B1KMT2AHTTKDM4E
SCHEMBL4088100 0.89 CYP1A1 (0.61) CYP1A1CYP1B1KMT2AMAOBMEN1
SCHEMBL4088098 0.89 CYP1A1 (0.61) CYP1A1CYP1B1KMT2AMAOBMEN1
SCHEMBL4088102 0.89 CYP1A1 (0.61) CYP1A1CYP1B1KMT2AMAOBMEN1
SCHEMBL3940152 0.87 CYP1A1 (0.59) CYP1A1CYP1B1KMT2AMAOBNPSR1
SCHEMBL3940151 0.87 CYP1A1 (0.59) CYP1A1CYP1B1KMT2AMAOBNPSR1
SCHEMBL3940154 0.87 CYP1A1 (0.59) CYP1A1CYP1B1KMT2AMAOBNPSR1
SCHEMBL3940250 0.86 ESRRG (0.50) CYP1A1CYP1B1KDM4EMAOBPPARA
SCHEMBL3940238 0.86 ESRRG (0.50) CYP1A1CYP1B1KDM4EMAOBPPARA

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 382/4885KMT2A 772/4885

“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.