SCHEMBL3940428

SCHEMBL3940428

CCOc1cccc(/C(=C\C=C\C(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
MAOB P27338 3/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR4A2 P43354 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TP53 P04637 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
DGAT1 O75907 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3940433 1.00 CYP1A1 (0.49) CYP1A1CYP1B1MAOBALDH1A1KDM4E
SCHEMBL3940434 1.00 CYP1A1 (0.49) CYP1A1CYP1B1MAOBALDH1A1KDM4E
SCHEMBL3943518 0.92 KMT2A (0.51) CYP1A1CYP1B1MAOBALDH1A1SMN1; SMN2
SCHEMBL3943516 0.92 KMT2A (0.51) CYP1A1CYP1B1MAOBALDH1A1SMN1; SMN2
SCHEMBL3943514 0.92 KMT2A (0.51) CYP1A1CYP1B1MAOBALDH1A1SMN1; SMN2
SCHEMBL3940154 0.89 CYP1A1 (0.59) CYP1A1CYP1B1MAOBNR4A2KMT2A
SCHEMBL3940152 0.89 CYP1A1 (0.59) CYP1A1CYP1B1MAOBNR4A2KMT2A
SCHEMBL3940151 0.89 CYP1A1 (0.59) CYP1A1CYP1B1MAOBNR4A2KMT2A
SCHEMBL3942285 0.88 CYP1A1 (0.48) CYP1A1CYP1B1MAOBTP53
SCHEMBL3942276 0.88 CYP1A1 (0.48) CYP1A1CYP1B1MAOBTP53

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.