SCHEMBL4098608

SCHEMBL4098608

N#Cc1cccc(/C(=C\C=C\C(=O)O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
VNN1 O95497 3/20 0.45
CES2 O00748 1/20 0.44
MAOB P27338 1/20 0.44
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
GSK3B P49841 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
P4HB P07237 1/20 0.39
KAT6A Q92794 1/20 0.39
KCNK3 O14649 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL4098610 1.00 RXFP1 (0.46) RXFP1VNN1CES2MAOBSRD5A2
SCHEMBL3946830 0.92 P4HB (0.41) RXFP1VNN1MAOBGSK3BPTGDR2
SCHEMBL3946828 0.92 P4HB (0.41) RXFP1VNN1MAOBGSK3BPTGDR2
SCHEMBL3946826 0.92 P4HB (0.41) RXFP1VNN1MAOBGSK3BPTGDR2
SCHEMBL3941071 0.89 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3940143 0.89 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL10399267 0.89 CES2 (0.56) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3944597 0.86 MAOB (0.55) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3944593 0.86 MAOB (0.55) CES2MAOBSRD5A2ALDH1A1LMNA
SCHEMBL3940491 0.82 NR1H4 (0.44) VNN1GSK3BP4HB

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 RXFP1 65/4885VNN1 1184/4885CES2 3693/4885

“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.