SCHEMBL2486178

SCHEMBL2486178

OOC1(OO)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.30
HSD11B1 P28845 1/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 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
SCHEMBL6160966 0.71 HSD11B1 (0.30) HSD11B1MAPT
SCHEMBL7594383 0.67
SCHEMBL6160607 0.65 MEN1 (0.31)
SCHEMBL1033155 0.65 ALDH1A1 (0.35) CYP2C9HSD11B1MAPTTP53GAA
SCHEMBL2747723 0.63 HSD11B1 (0.42) CYP2C9HSD11B1GAA
SCHEMBL14084250 0.63 MAPT (0.32) CYP2C9MAPTTP53GAA
SCHEMBL17352397 0.61 ALDH1A1 (0.33) CYP2C9HSD11B1MAPT
SCHEMBL40305 0.61 ALDH1A1 (0.33) CYP2C9HSD11B1MAPT
SCHEMBL3813601 0.61 NPSR1 (0.42) CYP2C9GAA
Adamantane SCHEMBL27604496 0.60 CYP2C9 (0.50) CYP2C9HSD11B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
EP-1496056-B1 NOVEL COMPOUNDS AND ANTIMALARIALS UNIV OKAYAMA (JP) 2011-10-26 EP disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-7407984-B2 Tetraoxaspriro anti-malarials OKAYAMA UNIVERSITY (JP) 2008-08-05 US disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 WO disclosed
US-20050131058-A1 Novel compounds and antimalarials OKAYAMA UNIVERSITY (JP) 2005-06-16 US disclosed
EP-1496056-A1 NOVEL COMPOUNDS AND ANTIMALARIALS Okayama University (JP) 2005-01-12 EP 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 (3 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-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 CYP2C9 294/4885HSD11B1 126/4885MAPT 4151/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 CYP2C9 293/4885HSD11B1 65/4885MAPT 4354/4885
US-20050131058-A1 Novel compounds and antimalarials SQLE, NR1H3, ALOX15 CYP2C9 392/4885HSD11B1 330/4885MAPT 3459/4885

“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.