SCHEMBL9944327

SCHEMBL9944327

COc1c(OC(C)C)cc(C(=O)Nc2ccc(C=O)cc2)cc1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
MCL1 Q07820 2/20 0.54
GFER P55789 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
TOP1 P11387 1/20 0.47
PRNP P04156 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
SCHEMBL9944292 0.92 TOP1 (0.49) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944285 0.92 TAS1R3 (0.57) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL11265553 0.89 ABCB1 (0.70) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944339 0.86 MAPT (0.50) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944326 0.86 MAPT (0.46) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944314 0.86 ABCB1 (0.48) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944313 0.84 TAS1R3 (0.54) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL1458634 0.84 MEN1 (0.60) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944343 0.83 MAPT (0.46) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL9944342 0.83 MAPT (0.49) ABCB1MAPTALDH1A1MEN1KMT2A

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 ABCB1 1555/4885MAPT 150/4885ALDH1A1 128/4885

“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.