SCHEMBL21711047

SCHEMBL21711047

CCCC(CCC)NC(=O)c1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.73
TAS1R1 Q7RTX1 16/20 0.73
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL28010260 0.91 TAS1R3 (0.61) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL21078060 0.85 HTT (0.71) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL702662 0.84 TAS1R3 (1.00) TAS1R3TAS1R1HPGDHTTALDH1A1
SCHEMBL12706057 0.84 ALDH1A1 (0.73) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL13169591 0.84 TAS1R3 (0.70) TAS1R3TAS1R1HPGDALDH1A1
SCHEMBL21078080 0.83 TAS1R3 (0.58) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL28863365 0.83 MEN1 (0.53) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL20878559 0.83 TAS1R3 (0.69) TAS1R3TAS1R1
SCHEMBL178377 0.81 MEN1 (0.59) TAS1R3TAS1R1MEN1KMT2ASMN1; SMN2
SCHEMBL5756487 0.81 TAS1R3 (0.88) TAS1R3TAS1R1

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-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS SENOMYX, INC. 2020-02-13 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-20200049699-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885MEN1 439/4885

“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.