SCHEMBL458586

SCHEMBL458586

O=C1c2ccccc2-c2ccnc3cccc1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 3/20 0.55
CYP3A4 P08684 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
DNMT1 P26358 1/20 0.55
MAPT P10636 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
APEX1 P27695 2/20 0.54
MAOA P21397 3/20 0.53
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 2/20 0.47
PTK2B Q14289 2/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAOB P27338 1/20 0.46
CDC25B P30305 1/20 0.44
PTPRC P08575 3/20 0.43

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
SCHEMBL29827450 1.00 PABPC1 (0.55) PABPC1CYP3A4CASP1CASP7DNMT1
SCHEMBL732391 0.88 ALDH1A1 (0.44) PABPC1CYP3A4CASP1CASP7DNMT1
SCHEMBL28357765 0.77 TYMS (0.52) MAPTMEN1KMT2AAPEX1MAOA
SCHEMBL22798938 0.76 NPC1 (0.38) MAPTMEN1KMT2AMAOANPC1
SCHEMBL23496967 0.76 MAPT (0.43) PABPC1CYP3A4MAPTMEN1KMT2A
SCHEMBL17228822 0.76 MAOA (0.42) MAOASMN1; SMN2KDM4EMAOBCDC25B
SCHEMBL29029657 0.76 PARP1 (0.53) CYP3A4CASP1CASP7MAPTMEN1
SCHEMBL13854898 0.76 ALDH1A1 (0.57) CASP1CASP7MAPTMEN1KMT2A
SCHEMBL28057086 0.74 NPC1 (0.59) DNMT1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL460367 0.73 MAOA (0.56) PABPC1CYP3A4CASP1CASP7DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060147737-A1 Reactive colorant compounds and polymeric materials copolymerized therewith EASTMAN CHEMICAL COMPANY 2006-07-06 US claimed
US-6776930-B2 POLYMER BONDED TO DYE EASTMAN KODAK COMPANY 2004-08-17 US claimed
EP-0747036-B1 A method of coloring hair with, and hair coloring compositions comprising, sulfo-containing water dispersible colored polymers CLAIROL INC (US) 2003-05-07 EP claimed
US-20010023938-A1 Polymer bonded to dye ALLEN MAX (US) 2001-09-27 US claimed
US-6197223-B1 REACTING DIACIDIC MONOMER HAVING FORMULA H--A--H, COMPRISING 1 TO 100 MOLE % OF LIGHT-ABSORBING MONOMER HAVING A LIGHT ABSORPTION MAXIMUM BETWEEN 300 NM AND 1200 NM AND 99-0 MOLE % OF A NON-LIGHT ABSORBING MONOMER WITH ORGANIC COMPOUND EASTMAN CHEMICAL COMPANY 2001-03-06 US claimed
EP-0869765-A1 AQUEOUS NAIL COATING COMPOSITION CONTAINING COPOLYMERIZED COLORANTS EASTMAN CHEMICAL COMPANY (US) 1998-10-14 EP claimed
WO-1997024102-A1 AQUEOUS NAIL COATING COMPOSITION CONTAINING COPOLYMERIZED COLORANTS EASTMAN CHEMICAL COMPANY (US) 1997-07-10 WO claimed
EP-0747036-A2 A method of coloring hair with, and hair coloring compositions comprising, sulfo-containing water dispersible colored polymers Bristol-Myers Squibb Company (US) 1996-12-11 EP claimed
EP-0445926-A2 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-09-11 EP claimed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
EP-4389765-A2 METHODS OF PERMEABILIZING THE BLOOD BRAIN BARRIER University of Southern California (US) 2024-06-26 EP disclosed
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-20 US disclosed
EP-4374929-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2024-05-29 EP disclosed
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-04-30 US disclosed
EP-0445926-B1 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-08-21 EP disclosed
EP-0555361-B1 POWDER COLORANT COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF EASTMAN CHEM CO (US) 1995-01-11 EP disclosed
US-5240464-A Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1993-08-31 US disclosed
EP-0555361-A1 POWDER COLORANT COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF. EASTMAN KODAK CO (US) 1993-08-18 EP disclosed
WO-1992007913-A1 POWDER COLORANT COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF EASTMAN KODAK COMPANY (US) 1992-05-14 WO disclosed
EP-0445926-A2 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-09-11 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 (3 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-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PABPC1 2628/4885CYP3A4 23/4885CASP1 1320/4885
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, PLIN1 PABPC1 2490/4885CYP3A4 375/4885CASP1 1824/4885
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes SQLE, DHPS, GGPS1 PABPC1 2628/4885CYP3A4 23/4885CASP1 1320/4885

“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.