SCHEMBL6096293

SCHEMBL6096293

CN(CCO)C(=O)C=Cc1cc(O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.45
▸ BACE1 P56817 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APP P05067 2/20 0.36
▸ PELI1 Q96FA3 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ SNCA P37840 1/20 0.34

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
SCHEMBL6096288 1.00 ESR1 (0.45) ESR1BACE1ALDH1A1MAPTKDM4E
SCHEMBL6095066 0.84 NPC1 (0.40) ESR1BACE1ALDH1A1MAPTKDM4E
SCHEMBL6095062 0.84 NPC1 (0.40) ESR1BACE1ALDH1A1MAPTKDM4E
SCHEMBL6095570 0.80 MAPT (0.48) BACE1ALDH1A1MAPTKDM4EMEN1
SCHEMBL6095573 0.80 MAPT (0.48) BACE1ALDH1A1MAPTKDM4EMEN1
SCHEMBL6097251 0.78 ESR1 (0.40) ESR1BACE1ALDH1A1MAPTKDM4E
SCHEMBL6097254 0.78 ESR1 (0.40) ESR1BACE1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6094157 0.77 ESR1 (0.39) ESR1BACE1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6094159 0.77 ESR1 (0.39) ESR1BACE1ALDH1A1MAPTKDM4E
SCHEMBL6098213 0.73 MIF (0.59) ESR1BACE1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 — — US disclosed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 — — EP disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 — — US disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 — — EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 — — 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK ESR1 4356/4885BACE1 4141/4885ALDH1A1 36/4885

“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.

Send feedback