SCHEMBL18081995

SCHEMBL18081995

Cc1nc2ccc(O)cc2c(N)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
ACHE P22303 1/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
PRNP P04156 1/20 0.45
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
PDE10A Q9Y233 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL15491545 0.81 DHODH (0.50) KMT2AALDH1A1HTTMEN1FABP3
SCHEMBL620402 0.81 KDM4E (0.56) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL10251073 0.81 KMT2A (0.54) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL620119 0.79 HSD17B10 (0.81) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL18080679 0.79 TP53 (0.47) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL19901694 0.77 KDM4E (0.59) TP53HSD17B10KMT2AALDH1A1MEN1
SCHEMBL9689780 0.74 GABRP (0.58) KMT2AALDH1A1MEN1GAAGFER
SCHEMBL15491778 0.73 ALDH1A1 (0.52) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL7648675 0.73 ALDH1A1 (0.56) TP53HSD17B10KMT2AALDH1A1HTT
SCHEMBL17796019 0.72 PLA2G2A (0.53) HSD17B10KMT2AALDH1A1MEN1FABP3

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-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 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-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 TP53 2533/4885HSD17B10 1094/4885KMT2A 1673/4885

“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.