SCHEMBL23318499

SCHEMBL23318499

CC(C)[C@@H](C)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.37
NPC1 O15118 3/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
SLC15A1 P46059 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1753750 0.88 ROCK2 (0.43) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL19201796 0.83 ROCK2 (0.43) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL26740152 0.82 ELANE (0.37) KMT2AMEN1SMN1; SMN2L3MBTL1ELANE
SCHEMBL26549546 0.82 ROCK2 (0.40) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL19901428 0.81 MEN1 (0.54) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL1753582 0.81 MEN1 (0.54) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL27305897 0.80 ELANE (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1ELANE
SCHEMBL18792766 0.80 ELANE (0.46) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL12157064 0.78 KMT2A (0.43) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL23420957 0.78 KMT2A (0.43) ROCK2KMT2AMEN1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 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-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ERBB3, HDAC6, ERBB2 ROCK2 2324/4885KMT2A 29/4885MEN1 3961/4885

“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.