SCHEMBL16077012

SCHEMBL16077012

COc1cc2c(c(C)c1C)OC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.63
PPARA Q07869 4/20 0.58
PPARG P37231 4/20 0.58
AKT1 P31749 1/20 0.57
PTGES O14684 1/20 0.54
NR1I2 O75469 1/20 0.54

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
SCHEMBL16136834 0.92 ALOX5 (0.63) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL9321468 0.89 ALOX5 (0.64) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL16589599 0.87 ALOX5 (0.68) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL17681925 0.87 ALOX5 (0.68) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL29592892 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL27140499 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL27091706 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL27091599 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL29591891 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2
SCHEMBL29592406 0.87 ALOX5 (0.58) ALOX5PPARAPPARGPTGESNR1I2

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 ALOX5 2194/4885PPARA 238/4885PPARG 385/4885

“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.