SCHEMBL2683389

SCHEMBL2683389

CCC[C@@H](NN(C(=O)c1cc(C)cc(C)c1)C(=O)c1ccc2c(c1C)OCO2)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
HPGD P15428 3/20 0.34
ABCB1 P08183 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL19946456 0.94 HSD17B10 (0.36) TAS1R3TAS1R1HPGDABCB1ALDH1A1
SCHEMBL9903289 0.86 NPC1 (0.35) HPGDABCB1ALDH1A1MAPT
SCHEMBL19946432 0.84 ABCB1 (0.34) TAS1R3TAS1R1HPGDABCB1ALDH1A1
SCHEMBL19946426 0.80 TAS1R3 (0.37) TAS1R3TAS1R1HPGDABCB1
SCHEMBL2683271 0.80 TAS1R3 (0.37) TAS1R3TAS1R1HPGDABCB1
SCHEMBL22363198 0.79 ABCB1 (0.50) TAS1R3TAS1R1ABCB1
SCHEMBL18625531 0.79 ABCB1 (0.50) TAS1R3TAS1R1ABCB1
SCHEMBL22363208 0.78 ABCB1 (0.43) TAS1R3TAS1R1ABCB1
SCHEMBL19946414 0.78 ABCB1 (0.43) TAS1R3TAS1R1ABCB1
SCHEMBL22363211 0.77 PRSS1 (0.43) TAS1R3TAS1R1HPGDABCB1

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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-05-10 US claimed
EP-2167458-B1 CHIRAL DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2018-03-14 EP 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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 TAS1R3 3889/4885TAS1R1 4166/4885HPGD 2031/4885

“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.