SCHEMBL5685477

SCHEMBL5685477

COc1ccc(CNC(C)c2cc(N)ccc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.51
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.43
ADRB2 P07550 1/20 0.41
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL6490146 0.86 CASR (0.53) CASRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5681763 0.83 POLB (0.68) CASRPOLBALDH1A1GAAMEN1
SCHEMBL5685489 0.80 ALDH1A1 (0.71) ALDH1A1GAAL3MBTL1KDM4EMEN1
SCHEMBL3975247 0.75 TDP1 (0.46) ALDH1A1GAAL3MBTL1KDM4EMEN1
Hydrochloric Acid SCHEMBL7770226 0.74 POLB (0.43) POLBKDM4EKMT2ATDP1ADRB2
SCHEMBL4625449 0.73 ALOX5 (0.40) POLBALDH1A1GAAL3MBTL1MEN1
SCHEMBL335111 0.72 KMT2A (0.47) POLBALDH1A1GAAL3MBTL1KDM4E
SCHEMBL22342333 0.72 CASR (0.71) CASRPOLBALDH1A1L3MBTL1MEN1
SCHEMBL12603587 0.72 CASR (0.71) CASRPOLBALDH1A1L3MBTL1MEN1
SCHEMBL7181502 0.72 CASR (0.62) CASRPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359891-B1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2006-03-15 EP disclosed
US-6838561-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-01-04 US disclosed
EP-1359891-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-12-01 EP disclosed
EP-1359891-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20020144358-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002062308-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-15 WO 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-20020144358-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASR 4857/4885POLB 261/4885ALDH1A1 7/4885

“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.