SCHEMBL3939718

SCHEMBL3939718

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAOB P27338 2/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GSK3B P49841 2/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13675554 0.94 TRPV1 (0.48) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL13712639 0.94 TRPV1 (0.48) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL13236835 0.92 CYP1A1 (0.52) NPSR1EPHX2PPARGCYP1A1CYP1B1
SCHEMBL6383098 0.86 NR4A1 (0.62) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL6381406 0.86 NR4A1 (0.62) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL6381399 0.86 NR4A1 (0.62) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL11386447 0.85 NPSR1 (0.50) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL11386442 0.85 NPSR1 (0.50) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL29779353 0.85 NPSR1 (0.50) NPSR1NR4A1NR4A2NR4A3EPHX2
SCHEMBL18255825 0.84 NPSR1 (0.46) NPSR1NR4A1NR4A2NR4A3EPHX2

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 NPSR1 69/4885NR4A1 93/4885NR4A2 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.