SCHEMBL3945561

SCHEMBL3945561

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
HPGDS O60760 1/20 0.42
MTOR P42345 1/20 0.42
PTAFR P25105 3/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
SRD5A2 P31213 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNK3 O14649 1/20 0.38

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
SCHEMBL3945568 1.00 MAOB (0.43) MAOBCYP1A1CYP1B1HPGDSMTOR
SCHEMBL3945565 1.00 MAOB (0.43) MAOBCYP1A1CYP1B1HPGDSMTOR
SCHEMBL3944874 0.88 MAOB (0.51) MAOBCYP1A1CYP1B1CES2CES1
SCHEMBL3944870 0.88 MAOB (0.51) MAOBCYP1A1CYP1B1CES2CES1
SCHEMBL3945472 0.88 MAOB (0.51) MAOBCYP1A1CYP1B1CES2CES1
SCHEMBL3938716 0.88 CES2 (0.52) PTAFRCES2CES1MEN1KMT2A
SCHEMBL3938710 0.88 CES2 (0.52) PTAFRCES2CES1MEN1KMT2A
SCHEMBL10397905 0.88 CES2 (0.52) PTAFRCES2CES1MEN1KMT2A
SCHEMBL3948261 0.87 NPC1 (0.48) MAOBCYP1A1CYP1B1CES2CES1
SCHEMBL3948258 0.87 NPC1 (0.48) MAOBCYP1A1CYP1B1CES2CES1

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 747/4885CYP1A1 916/4885CYP1B1 382/4885

“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.