SCHEMBL9944236

SCHEMBL9944236

CCC(CC)Oc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
TAS1R2 Q8TE23 1/20 0.55
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.45
GFER P55789 1/20 0.45
MCL1 Q07820 1/20 0.45
TOP1 P11387 1/20 0.43

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
SCHEMBL1458138 0.91 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944237 0.90 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944212 0.89 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944346 0.87 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944239 0.87 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL1458204 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944216 0.82 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944320 0.82 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL1458451 0.82 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944197 0.82 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2

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.