SCHEMBL9944343

SCHEMBL9944343

CC(C)Oc1cc(C(=O)Nc2ccc(C=O)cc2)cc(C(F)(F)F)c1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 5/20 0.46
GAA P10253 1/20 0.46
TOP1 P11387 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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 0.88 TOP1 (0.49) MAPTLMNAGAATOP1ALDH1A1
SCHEMBL9944298 0.88 MAPT (0.47) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1458419 0.86 MAPT (0.47) MAPTLMNAGAATOP1ALDH1A1
SCHEMBL1458551 0.85 MAPT (0.51) MAPTLMNAGAATOP1ALDH1A1
SCHEMBL9944327 0.83 ABCB1 (0.56) MAPTLMNAGAATOP1ALDH1A1
SCHEMBL9944326 0.82 MAPT (0.46) MAPTLMNATOP1ALDH1A1MAPK1
SCHEMBL9944314 0.80 ABCB1 (0.48) MAPTLMNATOP1ALDH1A1MAPK1
SCHEMBL9944305 0.79 MAPT (0.57) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL9944285 0.79 TAS1R3 (0.57) MAPTLMNAGAAALDH1A1MAPK1
SCHEMBL12825300 0.78 MAPT (0.47) MAPTLMNAGAAALDH1A1MAPK1

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 150/4885LMNA 1825/4885GAA 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.