SCHEMBL3944317

SCHEMBL3944317

Cc1ccc(C(=CC=CC(=O)O)c2cccc(C#N)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
ESR1 P03372 1/20 0.41
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P4HB P07237 8/20 0.39
VCP P55072 1/20 0.37
AKR1C3 P42330 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
AKR1C2 P52895 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
SCHEMBL3944308 1.00 GSK3B (0.42) GSK3BESR1GRM5ALDH1A1LMNA
SCHEMBL3944310 1.00 GSK3B (0.42) GSK3BESR1GRM5ALDH1A1LMNA
SCHEMBL3944253 0.88 VNN1 (0.42) GSK3BESR1GRM5P4HBCES2
SCHEMBL3944250 0.88 VNN1 (0.42) GSK3BESR1GRM5P4HBCES2
SCHEMBL3940491 0.87 NR1H4 (0.44) GSK3BESR1MAPTHPGDNPSR1
SCHEMBL3940487 0.87 NR1H4 (0.44) GSK3BESR1MAPTHPGDNPSR1
SCHEMBL3946826 0.84 P4HB (0.41) GSK3BESR1P4HB
SCHEMBL3946828 0.84 P4HB (0.41) GSK3BESR1P4HB
SCHEMBL3946830 0.84 P4HB (0.41) GSK3BESR1P4HB
SCHEMBL3943076 0.82 CES2 (0.53) ALDH1A1LMNAMAPTTHRBHPGD

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 GSK3B 3499/4885ESR1 2873/4885GRM5 1686/4885

“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.