SCHEMBL3940491

SCHEMBL3940491

CC(C)(C)c1ccc(C(=CC=CC(=O)O)c2cccc(C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
VNN1 O95497 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ESR1 P03372 1/20 0.39
EPHX2 P34913 1/20 0.39
GSK3B P49841 2/20 0.39
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
P4HB P07237 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3940487 1.00 NR1H4 (0.44) NR1H4VNN1KCNK9ESR1EPHX2
SCHEMBL3946826 0.88 P4HB (0.41) VNN1ESR1GSK3BP4HBNR4A1
SCHEMBL3946828 0.88 P4HB (0.41) VNN1ESR1GSK3BP4HBNR4A1
SCHEMBL3946830 0.88 P4HB (0.41) VNN1ESR1GSK3BP4HBNR4A1
SCHEMBL3944317 0.87 GSK3B (0.42) ESR1GSK3BP4HBMAPTHPGD
SCHEMBL3944308 0.87 GSK3B (0.42) ESR1GSK3BP4HBMAPTHPGD
SCHEMBL3944310 0.87 GSK3B (0.42) ESR1GSK3BP4HBMAPTHPGD
SCHEMBL3944250 0.84 VNN1 (0.42) VNN1ESR1GSK3BP4HB
SCHEMBL3944253 0.84 VNN1 (0.42) VNN1ESR1GSK3BP4HB
SCHEMBL3939632 0.84 KCNK9 (0.47) KCNK9RARBRARGMEN1KMT2A

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 NR1H4 2148/4885VNN1 1184/4885KCNK9 1971/4885

“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.