SCHEMBL965467

SCHEMBL965467

CC(=O)C1CC(C(=O)O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.46
APLNR P35414 1/20 0.36
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL963070 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6561035 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6561197 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL1348823 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6121809 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6382497 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL12914998 0.90 CD81 (0.39) CD81MEN1KMT2A
SCHEMBL15352277 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL21800873 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL10046563 0.77 CD81 (0.37) CD81APLNRSLC1A2SLC1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB CD81 2758/4885APLNR 4637/4885SLC1A2 4039/4885
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS CD81 2062/4885APLNR 3162/4885SLC1A2 4703/4885

“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.