SCHEMBL22823950

SCHEMBL22823950

CC(C)CCOC(=O)CC(C)c1ccc(OCCC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
EPHX2 P34913 1/20 0.55
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP19A1 P11511 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RARB P10826 1/20 0.44
MMP3 P08254 1/20 0.43
LMNA P02545 1/20 0.43
CTDSP1 Q9GZU7 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
SCHEMBL22823845 0.88 MAPK1 (0.62) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL21148979 0.82 FFAR1 (0.55) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL29107450 0.82 FFAR1 (0.55) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL5696261 0.78 MAPK1 (0.66) GAAHTTMAPK1SMN1; SMN2TP53
1,4-Diisopentoxybenzene SCHEMBL2846102 0.77 TDP1 (0.79) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL2939675 0.76 FFAR1 (0.64) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL11951590 0.76 TDP1 (0.71) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL3907599 0.76 GAA (0.65) GAAHTTMAPK1SMN1; SMN2TP53
SCHEMBL28115672 0.75 ALDH1A1 (0.51) TDP1KMT2AALDH1A1POLB
SCHEMBL7641525 0.75 SMN1; SMN2 (0.66) GAAHTTMAPK1SMN1; SMN2TP53

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-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2020-12-24 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-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS GPR119, FFAR1, GPR65 GAA 3620/4885HTT 1573/4885MAPK1 626/4885

“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.