SCHEMBL97127

SCHEMBL97127

CC(OCCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.43
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 2/20 0.42
ADRA2A P08913 2/20 0.42
LMNA P02545 2/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
AOC3 Q16853 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL29633537 1.00 TRPA1 (0.44) TRPA1ALDH1A1KDM4ERECQLCYP2D6
SCHEMBL21072047 0.89 MEN1 (0.40) TRPA1ALDH1A1RECQLCYP2D6SLC6A2
SCHEMBL14813927 0.88 ALDH1A1 (0.44) TRPA1ALDH1A1KDM4ECYP2D6SLC6A2
SCHEMBL9234762 0.86 UGCG (0.44) TRPA1ALDH1A1KDM4ECYP2D6SLC6A2
SCHEMBL2701953 0.85 HTT (0.42) KDM4ECYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6267450 0.83 TRPA1 (0.45) TRPA1ALDH1A1KDM4EADRA2ALMNA
SCHEMBL431888 0.81 SCN1A (0.41) ALDH1A1KDM4ECYP2D6SLC6A2SLC6A4
Di(Hydroxyethyl)Ether SCHEMBL11297509 0.80 TRPA1 (0.42) TRPA1ALDH1A1KDM4ERECQLCYP2D6
SCHEMBL27883397 0.80 LMNA (0.43) KDM4ECYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9619657 0.80 CYP2D6 (0.50) TRPA1ALDH1A1KDM4ERECQLCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. 2015-07-30 US disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
US-5868511-A AUTOLYOPHOBIC PROPERTIES OF INK IN PEN ALLOW THE TIP HOLDER TO BE SCARCELY WETTED WITH INK DURING ROTATION, SO BLOBBING DECREASES, AND LUBRICATING PROPERTIES IMPROVED FOR LESS WEAR ON THE TIP AND SMOOTH LIGHT WRITING FEEL MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 1999-02-09 US disclosed
EP-0702066-A2 Non-aqueous ink for ball point pen, and ball point pen MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 1996-03-20 EP disclosed
EP-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0086392-B1 HERBICIDAL AGENT CONTAINING METAMITRON IN COMBINATION WITH CERTAIN PHENOXYPROPIONIC-ACID ESTERS BAYER AG (DE) 1985-08-21 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0086392-A1 Herbicidal agent containing metamitron in combination with certain phenoxypropionic-acid esters BAYER AG (DE) 1983-08-24 EP disclosed
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 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 (5 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TRPA1 620/4885ALDH1A1 1200/4885KDM4E 4198/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TRPA1 620/4885ALDH1A1 1200/4885KDM4E 4198/4885
US-20150210720-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE NTRK2, MUSK, NTRK3 TRPA1 2238/4885ALDH1A1 2033/4885KDM4E 3397/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TRPA1 620/4885ALDH1A1 1200/4885KDM4E 4198/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 TRPA1 321/4885ALDH1A1 676/4885KDM4E 3544/4885

“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.