SCHEMBL9944338

SCHEMBL9944338

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
TOP1 P11387 2/20 0.48
ABCB1 P08183 1/20 0.45
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
MCL1 Q07820 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GAA P10253 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9944278 0.88 TAS1R3 (0.53) MAPTSMN1; SMN2TP53TOP1LMNA
SCHEMBL1457938 0.84 TP53 (0.53) MAPTSMN1; SMN2TP53TOP1ABCB1
SCHEMBL9944276 0.81 MAPT (0.47) MAPTLMNAMEN1KMT2ATAS1R3
SCHEMBL11265553 0.80 ABCB1 (0.70) MAPTSMN1; SMN2TP53ABCB1LMNA
SCHEMBL9944292 0.77 TOP1 (0.49) MAPTSMN1; SMN2TP53TOP1ABCB1
SCHEMBL9894969 0.77 TAS1R3 (0.52) MAPTSMN1; SMN2TP53TOP1LMNA
SCHEMBL9944188 0.77 TAS1R3 (0.52) MAPTSMN1; SMN2TP53TOP1ABCB1
SCHEMBL1458421 0.76 TAS1R3 (0.54) MAPTSMN1; SMN2TP53TOP1ABCB1
SCHEMBL9944327 0.75 ABCB1 (0.56) MAPTSMN1; SMN2TP53TOP1ABCB1
SCHEMBL9944348 0.75 TAS1R3 (0.53) MAPTSMN1; SMN2TP53ABCB1LMNA

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 150/4885SMN1; SMN2 696/4885TP53 533/4885

“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.