SCHEMBL17487216

SCHEMBL17487216

CC(C)CCC[C@H](C)C1CC[C@@]2(C)[C@@H]3C[C@H](N)[C@@]4(C)C[C@@H](O)CC[C@]4(C)[C@@]3(C)CC[C@]12C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 8/20 0.55
NPC1L1 Q9UHC9 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PLA2G1B P04054 1/20 0.41
HMGCR P04035 1/20 0.39
INPP5D Q92835 1/20 0.37
CDC25A P30304 3/20 0.37
CDC25B P30305 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL17487215 1.00 EBP (0.55) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL18714858 1.00 EBP (0.55) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL18714859 1.00 EBP (0.55) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL18199154 0.81 EBP (0.52) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL13185816 0.75 EBP (0.55) EBPNPC1L1MEN1USP2KMT2A
Pollinastanol SCHEMBL29423016 0.70 ACLY (0.49) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL133391 0.67 EBP (0.50) EBPNPC1L1MEN1USP2KMT2A
SCHEMBL30652952 0.66 EBP (0.41) EBPNPC1L1MEN1USP2KMT2A
Cycloartanol SCHEMBL455050 0.66 ACLY (0.67) EBPHMGCRCDC25ACDC25B
Cycloartanol SCHEMBL13324286 0.66 ACLY (0.67) EBPHMGCRCDC25ACDC25B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611270-B2 Inhibitors of CYP17A1 UNIVERSITY OF KANSAS (US) 2017-04-04 US disclosed
US-20160031929-A1 INHIBITORS OF CYP17A1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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-20160031929-A1 INHIBITORS OF CYP17A1 CYP19A1, CYP17A1, CYP21A2 EBP 568/4885NPC1L1 1525/4885MEN1 3548/4885

“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.