SCHEMBL9944124

SCHEMBL9944124

Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC(C)C)c1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
TOP1 P11387 1/20 0.47
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PLAU P00749 2/20 0.46
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EP300 Q09472 1/20 0.44
ABCB1 P08183 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1458073 0.92 PKM (0.53) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL9944254 0.90 SMN1; SMN2 (0.51) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL9944092 0.88 ALDH1A1 (0.55) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL1458634 0.87 MEN1 (0.60) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL1458068 0.86 TAS1R3 (0.52) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL9944078 0.86 TAS1R3 (0.52) MAPTPKMKMT2AMEN1NPC1
SCHEMBL9944123 0.86 ALDH1A1 (0.49) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL1458140 0.85 POLB (0.52) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL12824974 0.84 PKM (0.53) MAPTALDH1A1MAPK1PKMKMT2A
SCHEMBL1459193 0.84 GAA (0.58) MAPTALDH1A1MAPK1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
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 (2 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
US-20160039747-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.