SCHEMBL3029308

SCHEMBL3029308

CCOC(=O)c1[nH]c2cc(Cl)ccc2c1Cl

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 16/20 0.74
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
HPGD P15428 1/20 0.58
XBP1 P17861 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL8689527 0.89 ALDH1A1 (0.69) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4042096 0.89 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8793660 0.87 ALOX15 (0.85) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL26213307 0.86 ALOX15 (0.70) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL14174311 0.86 ALOX15 (0.70) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4358217 0.85 ALOX15 (0.81) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4045222 0.85 ALOX15 (0.69) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11559665 0.84 ALDH1A1 (0.70) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4573082 0.84 ALOX15 (0.67) ALOX15
SCHEMBL469602 0.84 ALOX15 (1.00) ALOX15

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 ALOX15 1278/4885ALDH1A1 348/4885CYP1A2 301/4885

“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.