SCHEMBL4479078

SCHEMBL4479078

Cc1cc(CCc2ccc3ccccc3n2)c(C)c2c1C(O)CC1(CCC1)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
S1PR1 P21453 1/20 0.31
SGPL1 O95470 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5AP P20292 2/20 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
SCHEMBL13756700 0.69 BCHE (0.37) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4468647 0.69 MEN1 (0.37) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19934036 0.64 PDE10A (0.52) PDE10ACYP1A2
SCHEMBL4469890 0.62 CYSLTR1 (0.42) PDE10AALOX5AP
SCHEMBL2913941 0.61 PDE10A (0.61) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4474042 0.61 RECQL (0.34)
SCHEMBL15549099 0.59 PDE10A (0.48) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4469994 0.58 MEN1 (0.34)
Hydrochloric Acid SCHEMBL15549326 0.58 PDE10A (0.47) PDE10ACYP1A2
SCHEMBL29289275 0.57 CYP1A2 (0.50) PDE10ACYP1A2CYP3A4CYP2D6CYP2C9

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-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 PDE10A 1421/4885CYP1A2 136/4885CYP3A4 317/4885

“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.