SCHEMBL961100

SCHEMBL961100

CC(C)(C)OC(=O)[C@H]1C[C@@H](C(=O)OC(=O)c2c(Cl)cc(Cl)cc2Cl)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.32
SPR P35270 2/20 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
SCHEMBL16675316 0.86 KMT2A (0.37) KMT2ALMNAMAPTSPR
SCHEMBL12914999 0.86 KMT2A (0.37) KMT2ALMNAMAPTSPR
SCHEMBL12914976 0.85 KMT2A (0.36) KMT2ALMNAMAPTSPR
SCHEMBL15362627 0.79 ESR1 (0.40) KMT2ALMNAMAPT
SCHEMBL16864100 0.79 ESR1 (0.40) KMT2ALMNAMAPT
SCHEMBL18375984 0.77 SLC6A3 (0.41) LMNA
SCHEMBL15352349 0.77 SLC6A3 (0.41) LMNA
SCHEMBL16675318 0.73 SPR (0.40) KMT2ALMNAMAPTSPR
SCHEMBL18365233 0.73 SPR (0.40) KMT2ALMNAMAPTSPR
SCHEMBL10073234 0.73 KMT2A (0.49) KMT2ALMNAMAPTSPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP 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 (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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS KMT2A 4391/4885LMNA 1173/4885MAPT 1492/4885

“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.