SCHEMBL16005118

SCHEMBL16005118

CC1(C)OB(c2ccc(OCc3cccc(C(=O)O)c3)cc2)OC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 18/20 0.63
TP53 P04637 2/20 0.63
PKM P14618 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RAB9A P51151 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63

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
SCHEMBL17129163 0.88 MRGPRX4 (0.61) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL298401 0.82 DGAT1 (0.72) SMN1; SMN2RAB9A
SCHEMBL257883 0.81 DGAT1 (0.55)
SCHEMBL19000514 0.81 DGAT1 (0.55) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL17129418 0.80 MAOB (0.58) RAB9A
SCHEMBL4659420 0.80 MAOB (0.56)
SCHEMBL14933738 0.80 GYS1 (0.61)
SCHEMBL16224782 0.80 GYS1 (0.45) TP53SMN1; SMN2RAB9A
SCHEMBL29203381 0.79 MAOB (0.60) SMN1; SMN2
SCHEMBL30110729 0.79 MAOB (0.60) SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 US disclosed
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 US disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 EP 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 (2 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-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 MRGPRX4 1513/4885TP53 3718/4885PKM 511/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 MRGPRX4 1513/4885TP53 3718/4885PKM 511/4885

“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.