SCHEMBL2687602

SCHEMBL2687602

CCC[C@H](N(NC(=O)c1ccccc1C)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F2R P25116 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL13983598 0.95 ABCB1 (0.52) ABCB1SMN1; SMN2KMT2ARAB9ACYP3A4
SCHEMBL4283145 0.89 ABCB1 (0.60) ABCB1SMN1; SMN2KMT2ACYP3A4
SCHEMBL2682193 0.89 ABCB1 (0.60) ABCB1SMN1; SMN2KMT2ACYP3A4
SCHEMBL19946435 0.89 ABCB1 (0.60) ABCB1SMN1; SMN2KMT2ACYP3A4
SCHEMBL2690565 0.89 ABCB1 (0.40) ABCB1
SCHEMBL13983601 0.85 ABCB1 (0.41) ABCB1CYP3A4
SCHEMBL13983597 0.85 ABCB1 (0.41) ABCB1CYP3A4POLBALDH1A1F2R
SCHEMBL13983600 0.85 ABCB1 (0.41) ABCB1SMN1; SMN2RAB9ACYP3A4NPC1
SCHEMBL13983605 0.83 ABCB1 (0.48) ABCB1SMN1; SMN2CYP3A4POLB
SCHEMBL27818767 0.81 ABCB1 (0.51) ABCB1CYP3A4

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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-05-10 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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 ABCB1 692/4885SMN1; SMN2 4266/4885KMT2A 1191/4885

“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.