SCHEMBL4462767

SCHEMBL4462767

Cc1nc(-c2c(C)c3c(c(C)c2O)CCC2(CCC2)O3)[nH]c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMPD3 Q9NY59 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
MAPK3 P27361 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4471062 0.80 AMY1A (0.41) CYP3A4TSHRUSP2TP53CYP2C9
SCHEMBL4462885 0.79
SCHEMBL4471043 0.74 CYP3A4 (0.58) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4472749 0.70 CYP3A4 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4472285 0.67 CYP3A4 (0.61) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4462709 0.67 CYP3A4 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4482568 0.65 CYP3A4 (0.41) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4467520 0.65 CYP3A4 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4472348 0.64 PTGS1 (0.43) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4473202 0.64 CYP3A4 (0.40) CYP3A4TSHRPTGS1PTGS2CYP1A2

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 6 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
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP claimed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO 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 CYP3A4 317/4885TSHR 2301/4885PTGS1 24/4885

“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.