SCHEMBL5266955

SCHEMBL5266955

CON=C1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL5839397 0.83 LMNA (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839395 0.83 LMNA (0.35) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267636 0.79 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267635 0.79 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5267649 0.73 ALDH1A1 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL21427765 0.73 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4467056 0.70
SCHEMBL4467061 0.70
SCHEMBL6982911 0.69 CYP3A4 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4473402 0.66

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
CN-101128423-A Novel lipoxygenase inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed
EP-1856040-A2 NOVEL LIPOXYGENASE INHIBITORS Eli Lilly and Company (US) 2007-11-21 EP disclosed
WO-2006093547-A2 NOVEL LIPOXYGENASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-09-08 WO disclosed
US-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC 2006-08-31 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-20060193797-A1 Chroman derivatives as lipoxygenase inhibitors NR0B1, ALOX5, ALOX15B PTGS1 510/4885PTGS2 917/4885CYP1A2 81/4885

“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.