SCHEMBL3501823

SCHEMBL3501823

CC/C(=C\c1ccc(C)cc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.39
NFE2L2 Q16236 1/20 0.37
SRC P12931 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KLKB1 P03952 1/20 0.35
TBXAS1 P24557 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.34
MIF P14174 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL3501826 1.00 PDE5A (0.39) PDE5ANFE2L2SRCPOLBMAPT
SCHEMBL31118194 0.86 POLB (0.45) NFE2L2POLBMAPTRAB9APPARG
SCHEMBL1508505 0.84 MEN1 (0.45) PDE5ANFE2L2SRCPOLBMAPT
SCHEMBL1508506 0.84 MEN1 (0.45) PDE5ANFE2L2SRCPOLBMAPT
SCHEMBL1100701 0.83 TBXAS1 (0.34) POLBMAPTRAB9ATBXAS1PPARG
SCHEMBL1100704 0.83 TBXAS1 (0.34) POLBMAPTRAB9ATBXAS1PPARG
SCHEMBL3503013 0.82 CYP4F2 (0.40) TBXAS1PPARG
SCHEMBL3503011 0.82 CYP4F2 (0.40) TBXAS1PPARG
SCHEMBL3500595 0.81 TBXAS1 (0.38) TBXAS1PPARG
SCHEMBL3500593 0.81 TBXAS1 (0.38) TBXAS1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 PDE5A 2331/4885NFE2L2 2246/4885SRC 3054/4885

“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.