SCHEMBL5246371

SCHEMBL5246371

COC(=O)c1cn(C)c2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.65
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
PDK2 Q15119 1/20 0.51
PDK4 Q16654 1/20 0.51
BRD4 O60885 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL497991 0.85 NR4A2 (0.51) NR4A2CA12CA1CA2CA7
SCHEMBL19202569 0.83 NR4A2 (0.63) NR4A2BRD4KMT2AMEN1LMNA
SCHEMBL497718 0.83 NR4A2 (0.63) NR4A2BRD4KMT2AMEN1LMNA
SCHEMBL5243737 0.83 NR4A2 (0.63) NR4A2BRD4KMT2ALMNAALDH1A1
SCHEMBL2433825 0.82 KMT2A (0.48) NR4A2CA12CA1CA2CA7
SCHEMBL5241310 0.81 NR4A2 (0.55) NR4A2BRD4KMT2ALMNAALDH1A1
SCHEMBL9769280 0.80 NR4A2 (0.58) NR4A2BRD4KMT2AMEN1LMNA
SCHEMBL31621504 0.79 NR4A2 (1.00) NR4A2BRD4KMT2AMEN1LMNA
SCHEMBL1092934 0.79 NR4A2 (1.00) NR4A2BRD4KMT2AMEN1LMNA
SCHEMBL19202449 0.77 NR4A2 (0.43) NR4A2KMT2AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US claimed
EP-0446132-B1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions OREAL (FR) 1994-09-14 EP claimed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US claimed
EP-0446132-A1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions L'OREAL (FR) 1991-09-11 EP claimed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US claimed
US-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses L'OREAL (FR) 2004-10-21 US disclosed
EP-0446132-B1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions OREAL (FR) 1994-09-14 EP disclosed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US disclosed
US-5207798-A Hair dyes L'OREAL (FR) 1993-05-04 US disclosed
EP-0446132-A1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions L'OREAL (FR) 1991-09-11 EP disclosed
US-5034015-A Fade resistant hair dyes with better coloring ability L'OREAL (FR) 1991-07-23 US disclosed
EP-0360638-A1 Process for dyeing keratinous fibres with an indole derivative associated with a nitrite, and composition therefor L'OREAL (FR) 1990-03-28 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-20040205903-A1 Dyeing composition comprising a cationic pyrrolidine-based para-phenylenefiamine, a tertiary para-phenylenediamine and a benzomorpholine coupler, methods and uses CDC73, KRT18, PAH NR4A2 1543/4885CA12 991/4885CA1 2217/4885

“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.