SCHEMBL3945969

SCHEMBL3945969

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
PDPK1 O15530 2/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A1 P04798 1/20 0.53
MAOB P27338 1/20 0.53
CYP1B1 Q16678 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
SRD5A2 P31213 1/20 0.50
GSK3B P49841 2/20 0.49
KDR P35968 1/20 0.47
HSD11B1 P28845 1/20 0.46
P2RX1 P51575 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
PTPN1 P18031 2/20 0.45
PPARG P37231 1/20 0.44

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
SCHEMBL3945957 1.00 NR4A1 (0.62) NR4A1NR4A2NR4A3PDPK1NPC1
SCHEMBL14034142 0.86 NR4A1 (0.63) NR4A1NR4A2NR4A3PDPK1CYP1A1
SCHEMBL3996143 0.86 NR4A1 (0.63) NR4A1NR4A2NR4A3PDPK1CYP1A1
SCHEMBL25252302 0.86 NR4A1 (0.58) NR4A1NR4A2NR4A3PDPK1NPC1
SCHEMBL3996139 0.86 NR4A1 (0.63) NR4A1NR4A2NR4A3PDPK1CYP1A1
SCHEMBL3944247 0.83 NR4A1 (0.68) NR4A1NR4A2NR4A3PDPK1CYP1A1
SCHEMBL3944242 0.83 NR4A1 (0.68) NR4A1NR4A2NR4A3PDPK1CYP1A1
SCHEMBL63954 0.82 CES1 (0.50) CES2CES1ALDH1A1TSHR
SCHEMBL14034156 0.82 L3MBTL1 (0.51) NR4A1NR4A2NR4A3NPC1RAB9A
SCHEMBL14034216 0.81 CES2 (0.50) NR4A1NR4A2NR4A3RAB9AMAOB

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 NR4A1 93/4885NR4A2 672/4885NR4A3 392/4885

“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.