SCHEMBL13618872

SCHEMBL13618872

Cc1cccc(C(=O)N[C@@H](c2ccc(CCC3CC3)cc2)C2CCCCC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
ACKR3 P25106 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
CTSS P25774 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 1/20 0.39
CXCR5 P32302 1/20 0.38
KCNA5 P22460 1/20 0.38
WDR91 A4D1P6 1/20 0.37
PYGL P06737 2/20 0.37

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
SCHEMBL13618880 0.99 HSD17B1 (0.43) HSD17B1HSD17B2TAS1R3TAS1R1TAS1R2
SCHEMBL13618878 0.84 HSD17B1 (0.52) HSD17B1HSD17B2TAS1R3TAS1R1TAS1R2
SCHEMBL13618876 0.84 HSD17B1 (0.49) HSD17B1HSD17B2ACKR3MEN1ALDH1A1
SCHEMBL13618885 0.82 HSD17B1 (0.48) HSD17B1HSD17B2ACKR3MEN1ALDH1A1
SCHEMBL13618886 0.82 HSD17B1 (0.50) HSD17B1HSD17B2TAS1R3TAS1R1TAS1R2
SCHEMBL13618890 0.82 NPC1 (0.42) TAS1R3TAS1R1TAS1R2MEN1ALDH1A1
SCHEMBL13618871 0.80 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2ACKR3MEN1
SCHEMBL13618899 0.80 HSD17B1 (0.48) HSD17B1HSD17B2TAS1R3TAS1R1TAS1R2
SCHEMBL16462590 0.80 ALDH1A1 (0.56) HSD17B1HSD17B2TAS1R3TAS1R1TAS1R2
SCHEMBL13618879 0.79 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2ACKR3MEN1

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-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 HSD17B1 1172/4885HSD17B2 1612/4885TAS1R3 1314/4885

“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.