SCHEMBL9944336

SCHEMBL9944336

CCOc1c(OC(C)C)cc(C(=O)Nc2ccc(C=O)c(C)c2)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
MAPT P10636 6/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
PLAU P00749 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9944331 0.93 RAB9A (0.49) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944290 0.88 TP53 (0.50) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944342 0.88 MAPT (0.49) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944304 0.87 MAPT (0.50) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944328 0.84 RAB9A (0.43) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL1458439 0.83 TP53 (0.52) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944277 0.83 MAPT (0.51) TP53MAPTGAAALDH1A1KDM4E
SCHEMBL9944353 0.83 TAS1R3 (0.50) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL9944288 0.83 RAB9A (0.49) TP53MAPTGAAALDH1A1MAPK1
SCHEMBL12825265 0.82 TP53 (0.53) TP53MAPTGAAALDH1A1MAPK1

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TP53 533/4885MAPT 150/4885GAA 149/4885

“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.