SCHEMBL4462428

SCHEMBL4462428

Cc1c(O)c(C(C)(C)C)cc2c1CCC1(CCC1)O2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 2/20 0.33
CA1 P00915 1/20 0.33
TP53 P04637 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSPA5 P11021 1/20 0.30
KDM4E B2RXH2 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6768175 0.83 KDM4E (0.38) ALDH1A1CA2SMN1; SMN2POLBTYR
SCHEMBL1972110 0.83 CYP3A4 (0.37) ALDH1A1CA2SMN1; SMN2POLBTYR
SCHEMBL4467796 0.82 ACHE (0.34) CYP1A2PTGS1PTGS2CYP3A4TSHR
SCHEMBL4473157 0.78 FDPS (0.34) ALDH1A1CA2CYP2C9CA1TP53
SCHEMBL4462820 0.75 ALOX15 (0.41) ALDH1A1SMN1; SMN2TYRCYP2C9CYP1A2
SCHEMBL4474380 0.75 MEN1 (0.40) ALDH1A1POLBCYP2C9TP53TSHR
SCHEMBL4481793 0.75 CA2 (0.33) ALDH1A1CA2SMN1; SMN2POLBTYR
SCHEMBL6769049 0.74 SMN1; SMN2 (0.39) ALDH1A1CA2SMN1; SMN2POLBTYR
SCHEMBL6305295 0.73 KDM4E (0.34) ALDH1A1CA2SMN1; SMN2POLBTYR
SCHEMBL6315032 0.72 KDM4E (0.35) ALDH1A1CA2SMN1; SMN2POLBTYR

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 10 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-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO 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 ALDH1A1 169/4885CA2 4524/4885SMN1; SMN2 4254/4885

“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.