SCHEMBL3944874

SCHEMBL3944874

O=C(O)C=CC=C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
PDPK1 O15530 2/20 0.46
SRD5A2 P31213 1/20 0.45
HSD11B1 P28845 1/20 0.42
P2RX1 P51575 1/20 0.42
PTPN1 P18031 1/20 0.41
PTGS1 P23219 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
P4HB P07237 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
SCHEMBL3945472 1.00 MAOB (0.51) MAOBCYP1A1CYP1B1RAB9ANPC1
SCHEMBL3944870 1.00 MAOB (0.51) MAOBCYP1A1CYP1B1RAB9ANPC1
SCHEMBL3939191 0.95 NR4A1 (0.51) MAOBCYP1A1CYP1B1RAB9ANPC1
SCHEMBL3939194 0.95 NR4A1 (0.51) MAOBCYP1A1CYP1B1RAB9ANPC1
SCHEMBL4033015 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2
SCHEMBL4033014 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2
SCHEMBL4033011 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2
SCHEMBL3938660 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2
SCHEMBL3938666 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2
SCHEMBL3938669 0.89 CYP1A1 (0.52) MAOBCYP1A1CYP1B1NR4A1NR4A2

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 3 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
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 CN 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.