SCHEMBL2969572

SCHEMBL2969572

Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)NNC(=O)C(O)c1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL2977961 0.90 PTGER1 (0.40) KMT2ASMN1; SMN2MEN1GPR132SMPD1
SCHEMBL2977441 0.88 ACP1 (0.42) MRGPRX4KMT2ASMN1; SMN2MEN1GPR132
SCHEMBL13220749 0.84 TP53 (0.39) KMT2ASMN1; SMN2
SCHEMBL13199240 0.82 GAA (0.44) MRGPRX4KMT2ASMN1; SMN2MEN1SMPD1
SCHEMBL2956660 0.77 MAPT (0.51) MRGPRX4KMT2ASMN1; SMN2MEN1SMPD1
SCHEMBL1842000 0.74 MEN1 (0.56) MRGPRX4KMT2AMEN1FFAR1MAOB
SCHEMBL1839731 0.74 CYP3A4 (0.42) KMT2ASMN1; SMN2MEN1
SCHEMBL8233664 0.74 MET (0.38) KMT2ASMN1; SMN2
SCHEMBL2951993 0.73 SMPD1 (0.44) KMT2AMEN1SMPD1
SCHEMBL26455213 0.73 MAOB (0.54) MRGPRX4KMT2ASMN1; SMN2MEN1FFAR1

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-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 — — US disclosed
US-7776920-B2 Mandelic hydrazides MERCK PATENT GMBH (DE) 2010-08-17 — — US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 — — US disclosed
US-20090221712-A1 MANDELIC HYDRAZIDES MERCK PATENT GESELLSCHAFT (DE) 2009-09-03 — — 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-20090221712-A1 MANDELIC HYDRAZIDES HK1, GLS, AGK MRGPRX4 397/4885KMT2A 1864/4885SMN1; SMN2 3603/4885

“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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