SCHEMBL3949030

SCHEMBL3949030

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SRD5A2 P31213 1/20 0.42
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
MAOB P27338 1/20 0.42
MGLL Q99685 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN1 P18031 1/20 0.39
P4HB P07237 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
SCHEMBL3949024 1.00 NR4A1 (0.45) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL3949027 1.00 NR4A1 (0.45) NR4A1NR4A2NR4A3CYP11B1CYP11B2
SCHEMBL3939194 0.92 NR4A1 (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3939191 0.92 NR4A1 (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3944870 0.88 MAOB (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3944874 0.88 MAOB (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3945472 0.88 MAOB (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3945845 0.87 ALOX15 (0.48) CES2CES1SRD5A2CYP1B1MAOB
SCHEMBL10399085 0.87 ALOX15 (0.48) CES2CES1SRD5A2CYP1B1MAOB
SCHEMBL3945842 0.87 ALOX15 (0.48) CES2CES1SRD5A2CYP1B1MAOB

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.