SCHEMBL13618877

SCHEMBL13618877

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 2/20 0.37
RORC P51449 4/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 5/20 0.35
ACKR3 P25106 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LDLR P01130 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13618887 0.99 HDAC1 (0.36) HDAC1HDAC6LMNARORCCYP3A4
SCHEMBL13618875 0.92 LMNA (0.39) LMNARORCCYP3A4NPC1RAB9A
SCHEMBL13618884 0.91 LMNA (0.37) LMNANPC1RAB9AACKR3MEN1
SCHEMBL13618871 0.83 TAS1R3 (0.36) LMNANPC1RAB9AACKR3MEN1
SCHEMBL13618879 0.82 TAS1R3 (0.37) LMNANPC1RAB9AACKR3MEN1
SCHEMBL13618896 0.81 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13618878 0.80 HSD17B1 (0.52) HDAC1HDAC6RORCCYP3A4NPC1
SCHEMBL13618898 0.80 FFAR1 (0.35) NPC1RAB9AACKR3MEN1KMT2A
SCHEMBL13618886 0.79 HSD17B1 (0.50) HDAC1HDAC6RORCCYP3A4NPC1
SCHEMBL13618899 0.77 HSD17B1 (0.48) HDAC1HDAC6RORCCYP3A4NPC1

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 HDAC1 1004/4885HDAC6 1567/4885LMNA 3470/4885

“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.