SCHEMBL9610754

SCHEMBL9610754

CC(C)(C)OC(=O)NC(C)(C)C(=O)NCC(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
PABPC1 P11940 1/20 0.41
NOTUM Q6P988 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL6635582 0.86 NPFFR1 (0.52) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL27428457 0.84 PDK1 (0.49) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8693590 0.78 CA1 (0.54) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL7722182 0.76 CYP17A1 (0.53) KMT2ARAB9APOLBNPFFR1NPFFR2
SCHEMBL9610755 0.76 MAPT (0.50) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL21224231 0.75 HDAC1 (0.54) KMT2AMEN1HDAC3HDAC1HDAC10
SCHEMBL7491713 0.75 CA1 (0.49) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6274441 0.75 CA1 (0.58) MAPTALDH1A1HPGDHDAC3HDAC1
SCHEMBL775002 0.75 NAMPT (0.56) KMT2AMEN1RAB9AALDH1A1GAA
SCHEMBL669133 0.74 PTPN11 (0.49) KMT2AMEN1MAPTRAB9AALDH1A1

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-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 KMT2A 3823/4885MEN1 660/4885MAPT 1810/4885

“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.