SCHEMBL10044258

SCHEMBL10044258

CC(O)(c1cc(C(=O)O)no1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
ALDH1A1 P00352 5/20 0.39
PTPN1 P18031 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RAPGEF3 O95398 1/20 0.34
ASPH Q12797 1/20 0.33
EGFR P00533 1/20 0.33
HTT P42858 1/20 0.33
MAPK14 Q16539 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL24710097 0.84 ALDH1A1 (0.42) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL13887372 0.82 ALDH1A1 (0.41) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1807534 0.82 ALDH1A1 (0.43) HCRTR2ALDH1A1PTPN1HPGDMAPT
SCHEMBL6371376 0.80 ALDH1A1 (0.44) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL1809204 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2MAPK1MEN1
SCHEMBL10044257 0.79 MLYCD (0.43) ALDH1A1MAPTSMN1; SMN2MAPK1MEN1
Hydrochloric Acid SCHEMBL9315107 0.78 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2MAPK1MEN1
SCHEMBL20359609 0.72 ALDH1A1 (0.39) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL19228450 0.71 ALDH1A1 (0.49) ALDH1A1PTPN1HPGDMAPTRECQL
SCHEMBL15956120 0.71 ALDH1A1 (0.49) ALDH1A1PTPN1HPGDMAPTRECQL

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-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA HCRTR1 3731/4885HCRTR2 3643/4885ALDH1A1 149/4885

“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.