SCHEMBL3946830

SCHEMBL3946830

N#Cc1cccc(C(=CC=CC(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GSK3B P49841 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
VNN1 O95497 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
CYP1A1 P04798 1/20 0.38
MAOB P27338 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
PTPN5 P54829 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3946826 1.00 P4HB (0.41) P4HBRXFP1GSK3BPTGDR2VNN1
SCHEMBL3946828 1.00 P4HB (0.41) P4HBRXFP1GSK3BPTGDR2VNN1
SCHEMBL4098610 0.92 RXFP1 (0.46) P4HBRXFP1GSK3BPTGDR2VNN1
SCHEMBL4098608 0.92 RXFP1 (0.46) P4HBRXFP1GSK3BPTGDR2VNN1
SCHEMBL3940487 0.88 NR1H4 (0.44) P4HBGSK3BVNN1ESR1NR4A1
SCHEMBL3940491 0.88 NR1H4 (0.44) P4HBGSK3BVNN1ESR1NR4A1
SCHEMBL3938991 0.88 KIF11 (0.47) P4HBRXFP1PTGDR2VNN1CYP1A1
SCHEMBL3938986 0.88 KIF11 (0.47) P4HBRXFP1PTGDR2VNN1CYP1A1
SCHEMBL3949656 0.85 MRGPRX4 (0.41) P4HBGSK3BMRGPRX4ESR1
SCHEMBL3949664 0.85 MRGPRX4 (0.41) P4HBGSK3BMRGPRX4ESR1

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 P4HB 793/4885RXFP1 65/4885GSK3B 3499/4885

“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.