SCHEMBL13618876

SCHEMBL13618876

Cc1ccc(C)c(C(=O)N[C@@H](c2ccc(CCC3CC3)cc2)C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
POLB P06746 1/20 0.45
LDLR P01130 1/20 0.40
ACKR3 P25106 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNA5 P22460 1/20 0.38
ADRB3 P13945 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 3/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL13618885 0.99 HSD17B1 (0.48) HSD17B1HSD17B2POLBLDLRACKR3
SCHEMBL13618878 0.92 HSD17B1 (0.52) HSD17B1HSD17B2ACKR3UTS2RKMT2A
SCHEMBL13618886 0.91 HSD17B1 (0.50) HSD17B1HSD17B2ACKR3UTS2RKMT2A
SCHEMBL13618899 0.89 HSD17B1 (0.48) HSD17B1HSD17B2POLBACKR3UTS2R
SCHEMBL13618872 0.84 HSD17B1 (0.45) HSD17B1HSD17B2ACKR3UTS2RKMT2A
SCHEMBL13618880 0.82 HSD17B1 (0.43) HSD17B1HSD17B2ACKR3UTS2RKMT2A
SCHEMBL13618895 0.82 NPC1 (0.51) POLBUTS2RLMNAKMT2AMEN1
SCHEMBL13618875 0.80 LMNA (0.39) POLBLDLRACKR3LMNAKMT2A
SCHEMBL13618884 0.79 LMNA (0.37) POLBLDLRACKR3LMNAKMT2A
SCHEMBL13618874 0.75 PDE2A (0.38) HSD17B1HSD17B2LMNAKMT2AMEN1

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 1612/4885POLB 4418/4885

“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.