SCHEMBL12189568

SCHEMBL12189568

CCCCCCCCOc1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.56
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ S1PR1 P21453 2/20 0.54
▸ S1PR3 Q99500 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PLA2G4B P0C869 1/20 0.52

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
SCHEMBL12189542 1.00 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12835024 1.00 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL7825824 0.86 TAS1R3 (0.61) GAATP53HTT
SCHEMBL12835062 0.85 FAAH (0.50) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189646 0.84 PTPN1 (0.51) HTT
SCHEMBL12189414 0.84 PTPN1 (0.56) GAAS1PR1S1PR3NR1H4
SCHEMBL12835495 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189554 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189643 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3
SCHEMBL12189645 0.83 FAAH (0.56) FAAHGAAL3MBTL1S1PR1S1PR3

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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 FAAH 2194/4885GAA 84/4885L3MBTL1 3370/4885

“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.

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