SCHEMBL4446113

SCHEMBL4446113

C=CCc1ccc(O)cc1CC=C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
POLB P06746 2/20 0.43
TYR P14679 1/20 0.43
XDH P47989 2/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KMT2A Q03164 2/20 0.41
AKR1B1 P15121 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL23174983 0.88 GABRA1 (0.44) GABRA1GABRB2ESR1ESR2POLB
Nitric Acid SCHEMBL8667575 0.87 POLB (0.42) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL71514 0.84 GABRA1 (0.70) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL5931905 0.84 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL29837102 0.84 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL30893166 0.84 GABRA1 (0.70) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL69697 0.84 TYR (0.58) GABRA1GABRB2POLBTYRXDH
SCHEMBL8418480 0.83 CAMK2A (0.46) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL9296359 0.83 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2POLB
SCHEMBL8730439 0.83 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677636-A Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2023-02-03 CN claimed
EP-3394027-B1 METHOD FOR PREPARING PHENOLICS USING A CATALYST TNO (NL) 2020-02-19 EP claimed
US-10407376-B2 Method to prepare phenolics from biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-09-10 US claimed
US-10364203-B2 Method for preparing phenolics using a catalyst NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-07-30 US claimed
US-20190002379-A1 Method for Preparing Phenolics Using a Catalyst NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-01-03 US claimed
EP-3394027-A1 METHOD FOR PREPARING PHENOLICS USING A CATALYST Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2018-10-31 EP claimed
US-20170349529-A1 Method to Prepare Phenolics from Biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-12-07 US claimed
EP-3245186-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2017-11-22 EP claimed
WO-2017111595-A1 METHOD FOR PREPARING PHENOLICS USING A CATALYST NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-06-29 WO claimed
EP-3184505-A1 METHOD FOR PREPARING PHENOLICS USING A CATALYST Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2017-06-28 EP claimed
WO-2016114668-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2016-07-21 WO claimed
EP-0630883-B1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS (IL) 1998-09-16 EP claimed
US-5602283-A Multi-stage process for preparing N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1997-02-11 US claimed
EP-0630883-A1 Novel process to prepare N-alkyl-3,4-dialkyl-2,6-dinitroanilines AGAN CHEMICAL MANUFACTURERS LTD. (IL) 1994-12-28 EP claimed
CN-117049967-A Preparation method and active application of 2, 6-dinitro-3, 4-dimethylphenol derivative 西华大学 2023-11-14 CN disclosed
CN-115677636-A Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2023-02-03 CN disclosed
CN-115677636-A Preparation method of 2, 3',4' -biphenyl tetracarboxylic dianhydride 天津众泰材料科技有限公司 2023-02-03 CN disclosed
CN-1058204-A The preparation method of aryl-substituted propionic acid esters HIMONT INC (US) 1992-01-29 CN disclosed
US-4322529-A Tertiary-alkylamine salts of azine dyestuffs CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-3994872-A SOLUBILITY CIBA-GEIGY CORPORATION (US) 1976-11-30 US 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 (4 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-10407376-B2 Method to prepare phenolics from biomass FDPS, DNPH1, HPD GABRA1 3827/4885GABRB2 4000/4885ESR1 1054/4885
US-20170349529-A1 Method to Prepare Phenolics from Biomass FDPS, DNPH1, HPD GABRA1 3827/4885GABRB2 4000/4885ESR1 1054/4885
US-10364203-B2 Method for preparing phenolics using a catalyst TYR, FDPS, COMT GABRA1 4376/4885GABRB2 4533/4885ESR1 149/4885
US-20190002379-A1 Method for Preparing Phenolics Using a Catalyst TYR, FDPS, COMT GABRA1 4376/4885GABRB2 4533/4885ESR1 149/4885

“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.