SCHEMBL3942820

SCHEMBL3942820

O=C(O)/C=C/C=C(/c1ccc(C(F)(F)F)cc1)c1cccc(OCCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
FFAR1 O14842 2/20 0.40
NR4A2 P43354 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
EPHX2 P34913 1/20 0.38
ALOX5 P09917 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37

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
SCHEMBL3942821 1.00 MAOB (0.42) MAOBFFAR1NR4A2PPARDPPARA
SCHEMBL3942823 1.00 MAOB (0.42) MAOBFFAR1NR4A2PPARDPPARA
SCHEMBL3941238 0.91 NR1H4 (0.44) MAOBFFAR1NR4A2MRGPRX4ALOX5
SCHEMBL3941240 0.91 NR1H4 (0.44) MAOBFFAR1NR4A2MRGPRX4ALOX5
SCHEMBL3941234 0.91 NR1H4 (0.44) MAOBFFAR1NR4A2MRGPRX4ALOX5
SCHEMBL3945139 0.90 CYP1A1 (0.44) MAOBPPARDPPARACYP1A1CYP1B1
SCHEMBL3945137 0.90 CYP1A1 (0.44) MAOBPPARDPPARACYP1A1CYP1B1
SCHEMBL3945141 0.90 CYP1A1 (0.44) MAOBPPARDPPARACYP1A1CYP1B1
SCHEMBL3943518 0.87 KMT2A (0.51) MAOBNR4A2MRGPRX4CYP1A1CYP1B1
SCHEMBL3943516 0.87 KMT2A (0.51) MAOBNR4A2MRGPRX4CYP1A1CYP1B1

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 MAOB 747/4885FFAR1 327/4885NR4A2 672/4885

“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.