SCHEMBL13618888

SCHEMBL13618888

Cc1cccc(C(=O)C[C@@H](c2ccc(CCC3CC3)cc2)C2C[C@@H]3CC[C@H]2C3)c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR5 P32302 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
POLB P06746 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13618893 0.85 NPC1 (0.42) NPC1ALDH1A1POLBKMT2AMEN1
SCHEMBL13618896 0.85 NPC1 (0.49) NPC1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13618890 0.82 NPC1 (0.42) NPC1ALDH1A1L3MBTL1LMNAGAA
SCHEMBL13618879 0.82 TAS1R3 (0.37) NPC1ALDH1A1L3MBTL1LMNACXCR5
SCHEMBL13618898 0.82 FFAR1 (0.35) NPC1ALDH1A1L3MBTL1CXCR5TAS1R3
SCHEMBL13618871 0.81 TAS1R3 (0.36) NPC1ALDH1A1L3MBTL1LMNACXCR5
SCHEMBL13618889 0.77 LMNA (0.30) LMNA
SCHEMBL13618897 0.69 NPC1 (0.61) NPC1ALDH1A1LMNASMN1; SMN2TAS1R3
SCHEMBL13618895 0.69 NPC1 (0.51) NPC1ALDH1A1LMNAPOLBKMT2A
SCHEMBL13618880 0.67 HSD17B1 (0.43) NPC1ALDH1A1CXCR5TAS1R3TAS1R1

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 151/4885ALDH1A1 652/4885L3MBTL1 1466/4885

“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.