SCHEMBL13601669

SCHEMBL13601669

Cc1cc(C(=O)O)ccc1-c1cc(F)cc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
RARB P10826 3/20 0.41
TSHR P16473 2/20 0.41
PTPN7 P35236 2/20 0.41
MYC P01106 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM1 Q13255 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12193907 0.83 MAPK14 (0.51) MAPK14KDM4EALDH1A1GAAL3MBTL1
SCHEMBL13601648 0.81 TTR (0.44) MAPK14KDM4EALDH1A1GAAL3MBTL1
SCHEMBL68014 0.81 ALDH1A1 (0.57) KDM4EALDH1A1GAAL3MBTL1RARB
SCHEMBL4601444 0.81 RARB (0.49) MAPK14KDM4EALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL4352471 0.79 ALDH1A1 (0.56) KDM4EALDH1A1GAAL3MBTL1RARB
SCHEMBL12388484 0.78 TTR (0.50) KDM4EALDH1A1GAAL3MBTL1LMNA
SCHEMBL14950582 0.77 ALDH1A1 (0.54) KDM4EALDH1A1GAAL3MBTL1RARB
SCHEMBL14950602 0.77 ALDH1A1 (0.54) KDM4EALDH1A1GAAL3MBTL1RARB
SCHEMBL13601700 0.76 CES2 (0.42) MAPK14KDM4EALDH1A1GAALMNA
SCHEMBL13601666 0.76 KDM4E (0.44) MAPK14KDM4EALDH1A1GAAL3MBTL1

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 MAPK14 3097/4885KDM4E 3224/4885ALDH1A1 2990/4885

“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.