SCHEMBL22060063

SCHEMBL22060063

CCC(=O)NC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
GPR139 Q6DWJ6 3/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
PHGDH O43175 4/20 0.47
PTGER4 P35408 1/20 0.47
PTGER2 P43116 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
TAOK3 Q9H2K8 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL9126037 0.85 ALDH1A1 (0.60) NR1H4GPR139ALDH1A1KDM4EMAPT
SCHEMBL23224245 0.85 NR1H4 (0.55) NR1H4GPR139ALDH1A1KDM4EMAPT
SCHEMBL7469811 0.84 MAPT (0.65) GPR139ALDH1A1KDM4EMAPTHTT
SCHEMBL12975495 0.84 MAPT (0.65) GPR139ALDH1A1KDM4EMAPTHTT
SCHEMBL12975787 0.84 MAPT (0.65) GPR139ALDH1A1KDM4EMAPTHTT
SCHEMBL24862002 0.83 ACACB (0.52) ACACBACACAGPR139ALDH1A1MAPT
SCHEMBL9787232 0.82 ASAH1 (0.56) NR1H4ALDH1A1MAPTMEN1KMT2A
SCHEMBL1697716 0.81 ALDH1A1 (0.60) ACACBACACAALDH1A1LMNAMEN1
SCHEMBL19658757 0.81 HTT (0.71) ACACBACACAALDH1A1KDM4EHTT
SCHEMBL8445815 0.81 GPR139 (0.55) ACACBACACAGPR139ALDH1A1MAPT

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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 NR1H4 1/4885ACACB 283/4885ACACA 369/4885

“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.