SCHEMBL9944339

SCHEMBL9944339

COc1cc(C(=O)Nc2ccc(C=O)cc2)cc(OC(C)C)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MCL1 Q07820 2/20 0.45
GFER P55789 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ABCC1 P33527 1/20 0.44
GAA P10253 2/20 0.43
RORC P51449 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
SCHEMBL9944327 0.86 ABCB1 (0.56) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944285 0.86 TAS1R3 (0.57) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944313 0.86 TAS1R3 (0.54) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL1457744 0.85 MAPT (0.61) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL1458647 0.85 PKM (0.57) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944251 0.85 MAPT (0.55) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944292 0.84 TOP1 (0.49) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944314 0.83 ABCB1 (0.48) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL9944326 0.83 MAPT (0.46) MAPTALDH1A1MAPK1LMNAABCG2
SCHEMBL1458345 0.81 ALDH1A1 (0.58) MAPTALDH1A1MAPK1LMNAABCG2

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 MAPT 150/4885ALDH1A1 128/4885MAPK1 1666/4885

“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.