SCHEMBL2511086

SCHEMBL2511086

CCc1nc2ccc(OC(C)C)cc2c(N)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL2511107 0.87 KDM4E (0.49) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL2513239 0.86 HSD17B10 (0.54) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL2510965 0.84 ALDH1A1 (0.44) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL2514137 0.84 FABP3 (0.48) FABP3FABP4FABP5
SCHEMBL621336 0.76 HSD17B10 (0.56) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL2515202 0.73 DHODH (0.45) KMT2AALDH1A1MEN1HSD17B10FABP3
SCHEMBL618409 0.73 ALDH1A1 (0.51) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL19901694 0.72 KDM4E (0.59) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL15493345 0.70 DHODH (0.59) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL11399829 0.70 L3MBTL1 (0.52) KMT2AALDH1A1MEN1KDM4EHSD17B10

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-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 KMT2A 1673/4885ALDH1A1 664/4885MEN1 784/4885

“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.