SCHEMBL17117635

SCHEMBL17117635

CCCCC(CC)COc1cccc2nc(C)c(C(=O)O)c(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
KCNH2 Q12809 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
PRKCD Q05655 1/20 0.36
PAK1 Q13153 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
PRSS1 P07477 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
SCHEMBL619413 0.92 TP53 (0.43) TP53HSD17B10CYP1A2CYP2D6KMT2A
SCHEMBL621331 0.84 TP53 (0.40) TP53HSD17B10CYP1A2CYP2D6KMT2A
SCHEMBL28073770 0.84 TP53 (0.40) TP53HSD17B10CYP1A2CYP2D6KMT2A
SCHEMBL15677270 0.84 TLR8 (0.46) TP53HSD17B10KMT2AMEN1LMNA
SCHEMBL27906020 0.83 MCHR1 (0.44) CYP3A4TP53HSD17B10CYP1A2CYP2D6
SCHEMBL621084 0.83 TLR8 (0.42) TP53HSD17B10KMT2AMEN1LMNA
SCHEMBL618858 0.82 TP53 (0.41) CYP3A4TP53HSD17B10CYP1A2CYP2D6
SCHEMBL621011 0.81 GABRP (0.48) ALDH1A1TP53HSD17B10KMT2AMEN1
SCHEMBL21281141 0.81 CYP1A2 (0.36) CYP3A4TP53HSD17B10CYP1A2CYP2D6
SCHEMBL620979 0.80 TP53 (0.40) CYP3A4TP53HSD17B10CYP1A2CYP2D6

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-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 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-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 664/4885CA2 1095/4885CYP3A4 1124/4885

“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.