SCHEMBL8166589

SCHEMBL8166589

C[C@H]1CC[C@]2(CCCO2)C1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
OPRK1 P41145 5/20 0.32
OPRD1 P41143 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8344135 1.00 KDM4E (0.32) KDM4EPKMOPRK1OPRD1MEN1
SCHEMBL26050030 1.00 KDM4E (0.32) KDM4EPKMOPRK1OPRD1MEN1
SCHEMBL8173461 1.00 KDM4E (0.32) KDM4EPKMOPRK1OPRD1MEN1
SCHEMBL16659519 0.93 CYP1A2 (0.36) KDM4EOPRK1OPRD1MEN1LMNA
SCHEMBL18576891 0.87 CYP1A2 (0.35) ATML3MBTL1
SCHEMBL18576605 0.87 CYP1A2 (0.35) ATML3MBTL1
SCHEMBL18573248 0.87 CYP1A2 (0.35) ATML3MBTL1
SCHEMBL25102 0.86 ATM (0.30) ATML3MBTL1
SCHEMBL18899114 0.86 ATM (0.30) ATML3MBTL1
SCHEMBL18372673 0.86 ATM (0.30) ATML3MBTL1

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-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
EP-2491785-A1 Method and compositions for treating HIV infections Purdue Research Foundation (US) 2012-08-29 EP disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 US disclosed
WO-2008133734-A2 METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS PURDUE RESEARCH FOUNDATION (US) 2008-11-06 WO 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-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 KDM4E 3900/4885PKM 3124/4885OPRK1 3065/4885

“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.