SCHEMBL13643141

SCHEMBL13643141

CC(Cc1ccc(OCc2ccccc2)c(F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.53
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
MRGPRX4 Q96LA9 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
ERN1 O75460 1/20 0.44
FOLH1 Q04609 1/20 0.44
PTGER1 P34995 2/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL14870838 1.00 S1PR5 (0.53) S1PR5LMNAHTTMRGPRX4SMN1; SMN2
SCHEMBL13248965 0.93 S1PR5 (0.51) S1PR5LMNAHTTMRGPRX4SMN1; SMN2
SCHEMBL13248967 0.91 S1PR5 (0.54) S1PR5LMNAHTTMRGPRX4SMN1; SMN2
SCHEMBL13643137 0.86 FOLH1 (0.62) HTTMRGPRX4SMN1; SMN2ALDH1A1FFAR4
SCHEMBL14870833 0.86 FOLH1 (0.62) HTTMRGPRX4SMN1; SMN2ALDH1A1FFAR4
SCHEMBL18082677 0.85 RXRA (0.49) LMNAMRGPRX4ALDH1A1MAPK1FFAR4
SCHEMBL13643138 0.84 ERN1 (0.44) LMNAHTTALDH1A1HPGDFFAR4
SCHEMBL14870836 0.84 ERN1 (0.44) LMNAHTTALDH1A1HPGDFFAR4
SCHEMBL13643146 0.83 XDH (0.52)
SCHEMBL2352215 0.82 FFAR1 (0.53) LMNAHTTMRGPRX4SMN1; SMN2ALDH1A1

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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 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-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 S1PR5 3427/4885LMNA 1022/4885HTT 1020/4885

“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.