SCHEMBL456864

SCHEMBL456864

Cc1c(O)cccc1NCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.36
BACE1 P56817 1/20 0.35
AR P10275 1/20 0.35
VDR P11473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7157690 0.93 TP53 (0.38) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL10601266 0.85 MAPT (0.47) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL11839093 0.82 KDM4E (0.48) MAPTTP53GAAHSD17B10LMNA
SCHEMBL5268912 0.81 ALDH1A1 (0.43) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL29039607 0.80 KDM4E (0.36) MAPTTP53GAAHSD17B10LMNA
SCHEMBL28074764 0.77 LMNA (0.60) MAPTHSD17B10LMNASMN1; SMN2MEN1
SCHEMBL453906 0.75 MAPT (0.47) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL29442601 0.75 MAPT (0.47) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL5514754 0.75 MAPT (0.44) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL3194480 0.74 MAPT (0.50) MAPTTP53GAAHSD17B10MAPK1

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 942 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP claimed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP claimed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP claimed

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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P MAPT 663/4885TP53 304/4885GAA 4705/4885

“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.