SCHEMBL4595751

SCHEMBL4595751

O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)C1(O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.69
CA2 P00918 6/20 0.69
CA7 P43166 6/20 0.69
CA9 Q16790 6/20 0.69
CA4 P22748 3/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSPB1 P04792 1/20 0.49
LPAR3 Q9UBY5 2/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47

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
SCHEMBL8666113 0.82 CA1 (1.00) CA1CA2CA7CA9CA4
SCHEMBL4932067 0.80 CA1 (0.76) CA1CA2CA7CA9CA4
SCHEMBL14342953 0.80 PTPRC (0.59) CA1CA2CA9POLBKDM4E
SCHEMBL177892 0.79 CYP3A4 (0.68) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL10416104 0.76 ALDH1A1 (0.68) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL11689190 0.75 HSPB1 (0.79) CA1CA2CA9POLBKDM4E
SCHEMBL9183872 0.75 HSPB1 (0.79) CA1CA2CA9POLBKDM4E
SCHEMBL2011179 0.75 HSPB1 (0.79) CA1CA2CA9POLBKDM4E
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.75 HSPB1 (0.79) CA1CA2CA9POLBKDM4E
SCHEMBL617807 0.73 POLB (0.67) POLBKDM4EKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500387-B1 Use of ninhydrin derivatives for dyeing OREAL (FR) 2008-01-09 EP disclosed
US-7179306-B2 Process for dying keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-20050050655-A1 Process for dyeing keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2005-03-10 US disclosed
EP-1500387-A1 Use of ninhydrin derivatives for dyeing L'OREAL (FR) 2005-01-26 EP 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-20050050655-A1 Process for dyeing keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative KRT18, JUP, NISCH CA1 1947/4885CA2 2607/4885CA7 318/4885

“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.