SCHEMBL13629833

SCHEMBL13629833

CC(C)CCC[C@@H](C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H]3/C=N/Nc1ccc(N=O)cc1N=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 9/20 0.49
USP2 O75604 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
NR1H3 Q13133 1/20 0.45
PLA2G1B P04054 1/20 0.44
RORA P35398 3/20 0.42
RORC P51449 3/20 0.42
GPR183 P32249 1/20 0.42
ALOX15 P16050 1/20 0.39
ABCB1 P08183 1/20 0.39
OSBP P22059 1/20 0.39
OSBP2 Q969R2 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
SRD5A2 P31213 2/20 0.38
SRD5A1 P18405 1/20 0.38

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
SCHEMBL13521627 0.84 NPC1L1 (0.48) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL13521591 0.78 NPC1L1 (0.66) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL13629830 0.77 NPC1L1 (0.46) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL13521634 0.76 NR1H3 (0.46) LMNAMEN1KMT2ANR1H3
SCHEMBL13523224 0.75 NPC1L1 (0.47) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL14611856 0.72 NR1H3 (0.60) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL13629834 0.72 CDC25A (0.57) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL14597020 0.71 NPC1L1 (0.43) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL29339071 0.71 NPC1L1 (0.60) NPC1L1USP2LMNAMEN1KMT2A
SCHEMBL13521629 0.70 GABRA1 (0.39) NPC1L1USP2LMNAMEN1KMT2A

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-20090275064-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-05 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-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR NPC1L1 161/4885USP2 3911/4885LMNA 2214/4885

“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.