SCHEMBL4147982

SCHEMBL4147982

NC(=O)C1Oc2ccc(C([O])[O])cc2O1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31
ALOX5 P09917 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
SCHEMBL1168607 0.77 POLB (0.39) POLBCASP6PTGS2CYP2C9CYP2C19
SCHEMBL12863013 0.77 PTGS2 (0.42) POLBCASP6PTGS2
SCHEMBL442707 0.73 ATM (0.50) POLBCASP6ALOX5
SCHEMBL1291771 0.72 PTGS1 (0.38) POLBCASP6PTGS1PTGS2CYP1A2
SCHEMBL1169205 0.70 KMT2A (0.44) POLB
SCHEMBL1663351 0.68 ALDH1A1 (0.41) PTGS1PTGS2CYP1A2CYP2C9CYP2C19
SCHEMBL13341117 0.67 PTGS1 (0.43) POLBPTGS1PTGS2CYP1A2CYP2C9
SCHEMBL3340685 0.66 POLB (0.33) POLBCASP6
SCHEMBL3093874 0.64 POLB (0.41) POLBCASP6PTGS1CYP1A2CYP2C9
SCHEMBL11812116 0.63 HRH4 (0.40) POLBPTGS1PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 POLB 2092/4885CASP6 1046/4885PTGS1 41/4885

“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.