SCHEMBL9944216

SCHEMBL9944216

COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
ABCB1 P08183 1/20 0.53
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51
GAA P10253 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9944197 0.93 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2ABCB1MAPT
SCHEMBL1457757 0.91 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2ABCB1MAPT
SCHEMBL9944212 0.91 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2ABCB1MAPT
SCHEMBL9944177 0.90 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944222 0.87 GAA (0.53) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944313 0.86 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ABCB1MAPT
SCHEMBL9944251 0.85 MAPT (0.55) ABCB1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL9944179 0.85 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944219 0.85 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2ABCB1MAPT
SCHEMBL1458068 0.83 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTRAB9A

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 TAS1R3 1123/4885TAS1R1 693/4885TAS1R2 808/4885

“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.