SCHEMBL16077002

SCHEMBL16077002

COc1cc(C)c2c(c1)CCC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.81
PPARG P37231 4/20 0.81
ALOX5 P09917 13/20 0.63
NR1I2 O75469 2/20 0.61
PTGES O14684 1/20 0.55

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
SCHEMBL16136832 0.92 PPARA (0.69) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL25060005 0.89 PPARA (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL30388206 0.89 PPARA (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16562606 0.89 PPARA (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16589603 0.87 ALOX5 (0.68) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL20822118 0.87 PPARA (0.65) PPARAPPARGALOX5NR1I2PTGES
Delta-Tocotrienol SCHEMBL4648790 0.86 ALOX5 (0.83) PPARAPPARGALOX5NR1I2PTGES
Delta-Tocotrienol SCHEMBL16430161 0.86 ALOX5 (0.83) PPARAPPARGALOX5NR1I2PTGES
Delta-Tocotrienol SCHEMBL4648783 0.86 ALOX5 (0.83) PPARAPPARGALOX5NR1I2PTGES
Delta-Tocotrienol SCHEMBL29719268 0.86 ALOX5 (0.83) PPARAPPARGALOX5NR1I2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133225-B2 Dual targeting anticancer agents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-09-15 US disclosed
US-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-18 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-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS CCNE1, CCNE2, VHL PPARA 238/4885PPARG 385/4885ALOX5 2194/4885

“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.