SCHEMBL15314052

SCHEMBL15314052

CO[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)C[C@@H](O)[C@]4(C)CC[C@]23C)[C@@]1(C)CO

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.63
PTPN1 P18031 6/20 0.58
F3 P13726 2/20 0.58
USP2 O75604 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
USP7 Q93009 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TOP2A P11388 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL6816946 1.00 ALOX5 (0.63) ALOX5PTPN1F3USP2LMNA
SCHEMBL12509508 1.00 ALOX5 (0.63) ALOX5PTPN1F3USP2LMNA
SCHEMBL13984298 0.92 ALOX5 (0.62) ALOX5PTPN1F3USP2LMNA
SCHEMBL20130493 0.91 ALOX5 (0.61) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL12509509 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL12422241 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL398310 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL8339201 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL2895626 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA
Soyasapogenol B SCHEMBL6235008 0.89 ALOX5 (0.78) ALOX5PTPN1F3USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 US disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 US disclosed
US-8557844-B2 Substrate reduction therapy THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2013-10-15 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 (2 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-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION UGCG, SMPD1, SMPD4 ALOX5 1633/4885PTPN1 2937/4885F3 4769/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 ALOX5 1666/4885PTPN1 4022/4885F3 3844/4885

“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.