SCHEMBL9944251

SCHEMBL9944251

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ABCB1 P08183 1/20 0.49
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
MCL1 Q07820 1/20 0.47
RORC P51449 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9944248 0.95 RORC (0.51) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL1458647 0.90 PKM (0.57) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL1457744 0.90 MAPT (0.61) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL1458345 0.86 ALDH1A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL9944212 0.85 TAS1R3 (0.60) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL9944339 0.85 MAPT (0.50) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL9944216 0.85 TAS1R3 (0.56) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL1459229 0.84 PKM (0.52) MAPTALDH1A1MAPK1LMNATP53
SCHEMBL9944197 0.82 TAS1R3 (0.52) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL9944252 0.82 RORC (0.50) MAPTALDH1A1MAPK1SMN1; SMN2RAB9A

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.