SCHEMBL4479386

SCHEMBL4479386

CC(=O)NCC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 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
SCHEMBL4464771 0.82 ALOX5 (0.31) ALOX5
SCHEMBL4472745 0.79 PTGS1 (0.37) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4463585 0.75 ALOX5 (0.31) ALOX5
SCHEMBL4468860 0.73 PTGS1 (0.34) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4463951 0.72 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4466203 0.71 PTGS1 (0.34) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4477173 0.70 PTGS1 (0.32) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL13763122 0.69 PTGS1 (0.30) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4468037 0.69 PTGS1 (0.30) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4466962 0.69 PTGS1 (0.30) PTGS1PTGS2CYP1A2CYP3A4TSHR

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
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US claimed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 US claimed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 ALOX5 2/4885PTGS1 24/4885PTGS2 34/4885

“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.