SCHEMBL17817311

SCHEMBL17817311

CN[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@H](C)CC[C@]4(COC)CC[C@]23C)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 2/20 0.43
PTPN1 P18031 3/20 0.43
TOP2A P11388 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
NT5E P21589 1/20 0.43
RELA Q04206 1/20 0.43
CA9 Q16790 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RORC P51449 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
SCHEMBL17817305 1.00 SLC10A1 (0.43) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL23016841 0.88 PTPN1 (0.43) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL23016840 0.88 PTPN1 (0.43) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL17832965 0.87 SLC10A1 (0.60) SLC10A1GPBAR1
SCHEMBL17817298 0.87 SLC10A1 (0.60) SLC10A1GPBAR1
SCHEMBL17832966 0.82 PTPN1 (0.52) SLC10A1PTPN1TOP2AUSP2LMNA
SCHEMBL15074887 0.73 SLC10A1 (0.75) SLC10A1CA9CA1CA2
SCHEMBL3786701 0.73 SLC10A1 (0.62) SLC10A1GPBAR1
SCHEMBL17817302 0.73 SLC10A1 (0.62) SLC10A1GPBAR1
SCHEMBL3781420 0.73 SLC10A1 (0.80) SLC10A1PTPN1TOP2AUSP2LMNA

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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 SLC10A1 1776/4885PTPN1 1769/4885TOP2A 2120/4885

“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.