SCHEMBL13618899

SCHEMBL13618899

Cc1ccc(C(=O)NC(c2ccc(CCC3CC3)cc2)C2CCC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
NPC1 O15118 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
KCNA5 P22460 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PDE2A O00408 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
RORC P51449 2/20 0.37
HDAC1 Q13547 1/20 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
SCHEMBL13618886 0.98 HSD17B1 (0.50) HSD17B1HSD17B2NPC1TAS1R3TAS1R1
SCHEMBL13618878 0.97 HSD17B1 (0.52) HSD17B1HSD17B2NPC1TAS1R3TAS1R1
SCHEMBL13618885 0.90 HSD17B1 (0.48) HSD17B1HSD17B2SMN1; SMN2UTS2RKCNA5
SCHEMBL13618876 0.89 HSD17B1 (0.49) HSD17B1HSD17B2UTS2RKCNA5KMT2A
SCHEMBL13618897 0.82 NPC1 (0.61) HSD17B1HSD17B2NPC1TAS1R3TAS1R1
SCHEMBL13618880 0.81 HSD17B1 (0.43) HSD17B1HSD17B2NPC1TAS1R3TAS1R1
SCHEMBL13618872 0.80 HSD17B1 (0.45) HSD17B1HSD17B2NPC1TAS1R3TAS1R1
SCHEMBL13618887 0.78 HDAC1 (0.36) NPC1RAB9ASMN1; SMN2RORCHDAC1
SCHEMBL13618877 0.77 HDAC1 (0.37) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL13618895 0.75 NPC1 (0.51) NPC1UTS2RKMT2AMEN1ALDH1A1

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 1612/4885NPC1 151/4885

“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.