SCHEMBL652984

SCHEMBL652984

CCc1cc(N)cc(O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
ACHE P22303 3/20 0.40
BACE1 P56817 1/20 0.40
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL396696 0.84 DHFR (0.43) PRKCIACHETSHRPOLBHTT
SCHEMBL10432144 0.77 DHFR (0.36) PRKCIACHETSHRCASP1POLB
SCHEMBL1179174 0.77 PTPN1 (0.46) BACE1ALOX15ALOX12POLBSMN1; SMN2
SCHEMBL2031885 0.77 DHFR (0.38) PRKCIACHEALOX15TSHRPOLB
SCHEMBL9367504 0.77 GABRA1 (0.50) PRKCIACHEBACE1ALOX15ALOX12
SCHEMBL10316036 0.76 KDM4E (0.48) ALOX15CASP1POLBRECQLALDH1A1
SCHEMBL992788 0.76 TRPA1 (0.46) BACE1ALOX15ALOX12HTTMEN1
SCHEMBL11437484 0.76 DHFR (0.39) PRKCITSHRPOLBHTTSMN1; SMN2
SCHEMBL20012880 0.76 NOS3 (0.41) ALOX15TSHRPOLBHTTSMN1; SMN2
SCHEMBL1179824 0.75 ALOX15 (0.45) BACE1ALOX15ALOX12POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1230549-A None JP disclosed
CN-109199892-A Composition and its application method containing oxidant 朋友株式会社 2019-01-15 CN disclosed
CN-109199898-A Composition and its application method containing oxidant 朋友株式会社 2019-01-15 CN disclosed
EP-2193781-B1 HAIR DYE AND HAIR DYE COMPOSITION HODOGAYA CHEMICAL CO LTD (JP) 2014-01-22 EP disclosed
EP-1961794-B1 Phase change inks containing colorant compounds XEROX CORP (US) 2013-03-27 EP disclosed
EP-1961793-B1 Phase change inks containing colorant compounds XEROX CORP (US) 2013-03-13 EP disclosed
US-8163074-B2 Phase change inks containing colorant compounds XEROX CORPORATION (US) 2012-04-24 US disclosed
US-8118881-B2 Hair dye and hair dye composition HODOGAYA CHEMICAL CO., LTD. (JP) 2012-02-21 US disclosed
US-20110271465-A1 HAIR DYE AND HAIR DYE COMPOSITION HODOGAYA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-1956053-B1 Colorant compounds XEROX CORP (US) 2011-03-23 EP disclosed
WO-2002096900-A1 NOVEL MAGENTA COLORANTS FOR USE WITHIN INK SYSTEMS MILLIKEN & COMPANY (US) 2002-12-05 WO disclosed
EP-1159254-A4 OXYALKYLENE-SUBSTITUTED AMINOPHENOL INTERMEDIATE MILLIKEN & CO (US) 2002-10-30 EP disclosed
US-20020147348-A1 METHODS OF MAKING MAGENTA COLORANTS FOR INK SYSTEMS BATLAW RAJNISH (US) 2002-10-10 US disclosed
US-6452020-B1 HIGH PURITY XANTHENE DYES WITH IMPROVED WAX AND/OR OIL SOLUBILITY FROM REACTION OF ISOCYANATE CAPPED AMINOPHENOLS WITH A PHTHALIC ANHYDRIDE MILLIKEN & COMPANY 2002-09-17 US disclosed
US-20020088371-A1 Within ink systems MILLIKEN & COMPANY 2002-07-11 US disclosed
EP-1159254-A1 OXYALKYLENE-SUBSTITUTED AMINOPHENOL INTERMEDIATE Milliken & Company (US) 2001-12-05 EP disclosed
WO-2000051967-A1 OXYALKYLENE-SUBSTITUTED AMINOPHENOL INTERMEDIATE MILLIKEN & COMPANY (US) 2000-09-08 WO disclosed
US-6040482-A Oxyalkylene-substituted aminophenol intermediate MILLIKEN & COMPANY (US) 2000-03-21 US disclosed
EP-0468821-A1 Process for the preparation of rhodamines TAOKA CHEMICAL CO., LTD (JP) 1992-01-29 EP disclosed
JP-H01230549-A METHOD FOR PURIFYING N,N-DIETHYL-M-AMINOPHENOL SUMITOMO CHEM CO LTD 1989-09-14 JP 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 (2 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-20110271465-A1 HAIR DYE AND HAIR DYE COMPOSITION AR, TYR, SHH PRKCI 4572/4885ACHE 4016/4885BACE1 1989/4885
US-20020147348-A1 METHODS OF MAKING MAGENTA COLORANTS FOR INK SYSTEMS TH, TYR, MYB PRKCI 1690/4885ACHE 416/4885BACE1 4825/4885

“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.