SCHEMBL23314536

SCHEMBL23314536

O=C1[C@@H](O)[C@@H](O)C(=O)N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
MGLL Q99685 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
GAA P10253 3/20 0.50
MAOA P21397 1/20 0.48
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
IDE P14735 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL18804483 0.82 MEN1 (0.72) MEN1KMT2APOLBATMMGLL
SCHEMBL14722021 0.82 MEN1 (0.52) MEN1KMT2APOLBATMALDH1A1
SCHEMBL3119437 0.81 ATM (0.55) MEN1KMT2APOLBATMMGLL
SCHEMBL15978112 0.79 MEN1 (0.53) MEN1KMT2APOLBATMMGLL
SCHEMBL9923584 0.78 MEN1 (0.57) MEN1KMT2APOLBATMMGLL
SCHEMBL17236309 0.78 MGLL (0.56) MEN1KMT2APOLBATMMGLL
SCHEMBL10031597 0.78 MEN1 (0.57) MEN1KMT2APOLBATMMGLL
SCHEMBL12858556 0.76 ELANE (0.60) MEN1KMT2AMGLLCACNA1BAPBA1
SCHEMBL26590830 0.76 MEN1 (0.59) MEN1KMT2APOLBATMMGLL
SCHEMBL905973 0.76 ATM (0.59) MEN1KMT2APOLBATMCACNA1B

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-20210187005-A1 PHARMACEUTICAL COMPOSITION KAWASAKI INSTITUTE OF INDUSTRIAL PROMOTION (JP) 2021-06-24 US disclosed
US-10993960-B1 Pharmaceutical composition KAWASAKI INSTITUTE OF INDUSTRIAL PROMOTION (JP) 2021-05-04 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 (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-20210187005-A1 PHARMACEUTICAL COMPOSITION ABCB11, ABCB1, ABCG2 MEN1 1597/4885KMT2A 4508/4885POLB 171/4885
US-10993960-B1 Pharmaceutical composition ABCB11, ABCB1, ABCG2 MEN1 1597/4885KMT2A 4508/4885POLB 171/4885

“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.