SCHEMBL10246908

SCHEMBL10246908

COc1cc(C2CCCCC2)ccc1CNC(=O)C(=O)NCCc1ccc(C)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.67
TAS1R1 Q7RTX1 3/20 0.67
ALDH1A1 P00352 2/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CSF1R P07333 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL702950 0.85 TAS1R3 (0.81) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL30777573 0.85 TAS1R3 (0.81) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL701192 0.83 TAS1R3 (0.86) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4257386 0.82 TAS1R3 (0.85) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL701975 0.80 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL18971254 0.80 TAS1R3 (0.71) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL18971636 0.78 TAS1R3 (0.69) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL19494332 0.78 TAS1R3 (0.69) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL20282802 0.74 TAS1R3 (0.89) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL18971045 0.74 TAS1R3 (0.62) TAS1R3TAS1R1ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148536-B2 Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX, INC. (US) 2012-04-03 US disclosed
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. 2009-11-12 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-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM TAS1R1, TAS1R2, GRM1 TAS1R3 12/4885TAS1R1 1/4885ALDH1A1 698/4885

“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.