SCHEMBL1666337

SCHEMBL1666337

O=COCCC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.34
HPGD P15428 6/20 0.33
EPHX1 P07099 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
METAP1 P53582 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL5543967 0.98 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27705383 0.98 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL73403 0.98 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1451000 0.95
SCHEMBL456220 0.90
SCHEMBL17102571 0.90 ADH1B (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3025958 0.86 CYP1A2 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3258085 0.85 CYP1A2 (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5543638 0.85 CYP1A2 (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5541873 0.85 CYP1A2 (0.45) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9648879-B2 Co-crystal and method for producing same NIPPON SODA CO., LTD. (JP) 2017-05-16 US disclosed
EP-1719794-B1 NOVEL POLYMERS AND USES THEREOF MITSUI CHEMICALS INC (JP) 2017-01-04 EP disclosed
US-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2016-09-29 US disclosed
EP-3069610-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2016-09-21 EP disclosed
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7977429-B2 Polymers and uses thereof MITSUI CHEMICALS, INC. (JP) 2011-07-12 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0005859-B1 PROCESS FOR REDUCING METAL ION CONTENT OF AQUEOUS SOLUTIONS DE NORA PERMELEC S.P.A. (IT) 1983-02-16 EP disclosed
US-4215009-A COMPLEXING ORONZIO DENORA IMPIANTI ELETTROCHIMICI S.P.A. (IT) 1980-07-29 US disclosed
EP-0005859-A1 Process for reducing metal ion content of aqueous solutions DE NORA PERMELEC S.P.A. (IT) 1979-12-12 EP disclosed
US-3980687-A Intermediates for the preparation of 17-substituted-Δ4 -gonenes ROUSSEL-UCLAF (FR) 1976-09-14 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 (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-20160278380-A1 CO-CRYSTAL AND METHOD FOR PRODUCING SAME DDT, CCDC22, MLN ADH1B 994/4885ADH1C 650/4885ADH1A 2209/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ADH1B 1160/4885ADH1C 697/4885ADH1A 211/4885
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 ADH1B 2180/4885ADH1C 1553/4885ADH1A 2921/4885

“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.