SCHEMBL547889

SCHEMBL547889

Oc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(O)cc3O)n2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
ALOX5 P09917 1/20 0.50
TYR P14679 2/20 0.48
ESR1 P03372 7/20 0.47
ESR2 Q92731 6/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAOA P21397 1/20 0.42
UGT1A1 P22309 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL29625130 1.00 NPC1 (0.52) NPC1ALOX5TYRESR1ESR2
Water SCHEMBL8683475 0.97 NPC1 (0.50) NPC1ALOX5TYRESR1ESR2
SCHEMBL18913903 0.89 SMN1; SMN2 (0.57) NPC1ALOX5ESR1ESR2MAPT
SCHEMBL5703463 0.89 NPC1 (0.44) NPC1ALOX5TYRESR1ESR2
SCHEMBL4981440 0.89 MEN1 (0.50) NPC1ALOX5TYRESR1ESR2
SCHEMBL14070316 0.89 HSD17B10 (0.50) NPC1ALOX5TYRESR1ESR2
SCHEMBL6444289 0.89 MEN1 (0.50) NPC1ALOX5TYRESR1ESR2
Phenol SCHEMBL7138886 0.89 ALOX5 (0.57) NPC1ALOX5TYRESR1ESR2
SCHEMBL22207213 0.89 NPC1 (0.69) NPC1ALOX5TYRESR1ESR2
SCHEMBL4438569 0.86 ESR1 (0.46) NPC1ALOX5TYRESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276672-A A kind of composite material and preparation method for computer cabinet shell 合肥思博特软件开发有限公司 2018-07-13 CN claimed
CN-108178909-A A kind of road lighting LED lamp cover composite material and preparation method thereof 合肥安力电力工程有限公司 2018-06-19 CN claimed
JP-4743971-B2 2011-08-10 JP claimed
EP-2267523-A2 Stabilized electrochromic media BASF SE (DE) 2010-12-29 EP claimed
US-7595011-B2 One or more solvents, one or more materials which are functional elements of electrochromic devices, one or more ultraviolet light absorbers selected from hydroxyphenylbenzotriazoles and tris-aryl-s-triazines, and one or more NH or N-alkyl hindered amine light stabilizers; discoloration inhibition CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-29 US claimed
EP-1999195-A1 METHOD FOR INCORPORATING ADDITIVES INTO POLYMERS Ciba Holding Inc. (CH) 2008-12-10 EP claimed
US-7332105-B2 Synergistic UV absorber combination CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US claimed
US-7326740-B2 Natural products composites CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-05 US claimed
WO-2007128672-A1 SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH CIBA HOLDING INC. (CH) 2007-11-15 WO claimed
US-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith WOOD MERVIN G 2007-11-08 US claimed
US-20020194776-A1 Candle wax stabilized with imidazolidines CIBA SPECIALTY CHEMICALS CORP. 2002-12-26 US claimed
US-20020189155-A1 Candle wax stabilized with s-triazines/hals CIBA SPECIALTY CHEMICALS CORP. 2002-12-19 US claimed
EP-1263833-A1 ROMP WITH OLIGOMERIC UV-ABSORBERS Ciba SC Holding AG (CH) 2002-12-11 EP claimed
WO-2002079313-A1 STABILIZED CANDLE WAX CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed
WO-2002079314-A1 CANDLE WAX STABILIZED WITH S-TRIAZINES/HALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed
EP-1181338-A1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, HIGH EXTINCTION, PHOTOSTABLE HYDROXYPHENYL-S-TRIAZINE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM Ciba SC Holding AG (CH) 2002-02-27 EP claimed
WO-2001062821-A1 ROMP WITH OLIGOMERIC UV-ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-30 WO claimed
US-6225384-B1 FOR SOLAR CONTROL FILMS, FILMS AND GLAZINGS, ULTRAVIOLET RADIATION ABSORBING GLASSES AND GLASS COATINGS, WINDSCREENS, RETROREFLECTIVE SHEETINGS AND SIGNS, SOLAR REFLECTORS, AND OPTICAL FILMS CIBA SPECIALTY CHEMICALS CORPORATION 2001-05-01 US claimed
WO-2000066675-A1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, HIGH EXTINCTION, PHOTOSTABLE HYDROXYPHENYL-s-TRIAZINE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM CIBA SPECIALTY CHEMICALS HOLDING INC. (DE) 2000-11-09 WO claimed
EP-0863145-A2 Sunscreen compositions F. HOFFMANN-LA ROCHE AG (CH) 1998-09-09 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-20070256352-A1 Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith CRY1, GPX4, CAND1 NPC1 2335/4885ALOX5 645/4885TYR 60/4885

“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.