SCHEMBL3948558

SCHEMBL3948558

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
SRD5A2 P31213 1/20 0.44
CYP1A1 P04798 6/20 0.43
CYP1B1 Q16678 6/20 0.43
MAOB P27338 2/20 0.43
AKR1C3 P42330 1/20 0.43
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 1/20 0.39
P4HB P07237 1/20 0.39
GSK3B P49841 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3948551 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3948556 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL30924791 0.82 NR4A1 (0.46) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3940538 0.81 PTPN1 (0.50) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3940536 0.81 PTPN1 (0.50) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3940539 0.81 PTPN1 (0.50) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3939194 0.81 NR4A1 (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL3939191 0.81 NR4A1 (0.51) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL4087325 0.81 NR4A1 (0.53) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL4087319 0.81 NR4A1 (0.53) NR4A1NR4A2NR4A3CES2CES1

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.