SCHEMBL13618893

SCHEMBL13618893

Cc1ccc(C)c(C(=O)C[C@@H](c2ccc(CCC3CC3)cc2)C2C[C@@H]3CC[C@H]2C3)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL13618896 0.93 NPC1 (0.49) NPC1KMT2AMEN1ALDH1A1POLB
SCHEMBL13618888 0.85 NPC1 (0.34) NPC1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL13618895 0.82 NPC1 (0.51) NPC1KMT2AMEN1ALDH1A1POLB
SCHEMBL13618884 0.82 LMNA (0.37) NPC1KMT2AMEN1TSHRDRD2
SCHEMBL13618875 0.81 LMNA (0.39) NPC1KMT2AMEN1CYP3A4TSHR
SCHEMBL13618889 0.77 LMNA (0.30)
SCHEMBL13618897 0.77 NPC1 (0.61) NPC1KMT2AMEN1ALDH1A1POLB
SCHEMBL13618887 0.74 HDAC1 (0.36) NPC1CYP3A4RAB9A
SCHEMBL13618877 0.73 HDAC1 (0.37) NPC1KMT2AMEN1CYP3A4RAB9A
SCHEMBL13618890 0.69 NPC1 (0.42) NPC1KMT2AMEN1ALDH1A1POLB

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 NPC1 151/4885KMT2A 1209/4885MEN1 2578/4885

“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.