SCHEMBL13601666

SCHEMBL13601666

Cc1cc(C(=O)O)ccc1-c1c(F)ccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADH5 P11766 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
RARB P10826 3/20 0.42
TSHR P16473 2/20 0.41
MYC P01106 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 2/20 0.41
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13601660 0.85 TTR (0.54) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL13601663 0.83 EIF4E (0.45) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL13601648 0.79 TTR (0.44) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL4601444 0.79 RARB (0.49) KDM4EALDH1A1GAAL3MBTL1ADH5
SCHEMBL385343 0.79 LMNA (0.53) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL68014 0.78 ALDH1A1 (0.57) KDM4EALDH1A1GAAL3MBTL1ADH5
SCHEMBL12193907 0.77 MAPK14 (0.51) KDM4EALDH1A1GAAL3MBTL1ADH5
SCHEMBL12388131 0.77 CA12 (0.47) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL13601665 0.77 EIF4E (0.47) KDM4EALDH1A1GAAL3MBTL1RARB
Hydrochloric Acid SCHEMBL1478519 0.77 LMNA (0.52) KDM4EALDH1A1GAAL3MBTL1LMNA

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 KDM4E 3224/4885ALDH1A1 2990/4885GAA 4354/4885

“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.