SCHEMBL3217432

SCHEMBL3217432

CCCCC(=Cc1cc(OCc2ccc(OC)cc2)nn(Cc2ccc(OC)cc2)c1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.48
ALOX5 P09917 14/20 0.48
PPARG P37231 13/20 0.46
PTGES O14684 8/20 0.46

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
SCHEMBL3212801 0.84 PSEN1 (0.48) PSEN1ALOX5PPARGPTGES
SCHEMBL3217419 0.81 FAAH (0.38) PPARG
SCHEMBL3217412 0.80 AKR1B10 (0.41)
SCHEMBL3217427 0.80 AKR1B10 (0.41)
SCHEMBL2772199 0.80 HDAC8 (0.43) PPARG
SCHEMBL2772203 0.80 HDAC8 (0.43) PPARG
SCHEMBL2767672 0.72 CNR1 (0.47)
SCHEMBL15770011 0.70 FFAR1 (0.49) PSEN1ALOX5PPARGPTGES
SCHEMBL3212790 0.70 CNR1 (0.44)
SCHEMBL6367852 0.68 ALOX5 (0.58) ALOX5PPARGPTGES

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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB PSEN1 3439/4885ALOX5 1072/4885PPARG 199/4885

“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.