SCHEMBL10186773

SCHEMBL10186773

BCC(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.66
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ MCL1 Q07820 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ HTT P42858 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ EPHX2 P34913 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL3087061 0.85 GAA (0.73) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL392625 0.81 ALDH1A1 (0.82) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL414454 0.81 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL1186049 0.81 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL622501 0.81 GAA (0.68) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL16714720 0.79 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL2636120 0.79 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL417953 0.79 AOC3 (0.72) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL9080 0.79 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1
SCHEMBL1185619 0.79 GAA (0.66) GAAKMT2AMEN1MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242359-B1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIV STRASBOURG (FR) 2016-06-01 — — EP disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 — — US disclosed
WO-2009091921-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2009-07-23 — — WO 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P GAA 950/4885KMT2A 4640/4885MEN1 3978/4885

“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.

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