SCHEMBL8165697

SCHEMBL8165697

CCOC(=O)CCCC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 3/20 0.48
TRPA1 O75762 1/20 0.48
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
ALOX15 P16050 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DGKA P23743 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 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
SCHEMBL1908800 0.94 CYP1A2 (0.55) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL10250453 0.92 CYP1A2 (0.53) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL15183505 0.92 CYP1A2 (0.53) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL15183507 0.92 CYP1A2 (0.53) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL12933282 0.92 CYP1A2 (0.53) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL15183506 0.92 CYP1A2 (0.53) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL3368077 0.86 ALDH1A1 (0.52) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL27631198 0.86 CYP1A2 (0.47) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL17524245 0.85 CYP1A2 (0.47) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL17524247 0.85 CYP1A2 (0.47) CYP1A2ALDH1A1TRPA1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589937-A Self-curing type multilayer co-extrusion white packaging adhesive film and preparation method thereof 浙江祥邦科技股份有限公司 2023-08-15 CN disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
CN-1175001-C Free radical polymerization in presence of plurality of stable free radicals ���շ��л�ѧ���޹�˾ 2004-11-10 CN disclosed
CN-1102568-C Pesticidal compounds BRITISH TECH GROUP (GB) 2003-03-05 CN disclosed
CN-1251841-A Free radical polymerization in presence of plurality of stable free radicals ATOCHEM ELF SA (FR) 2000-05-03 CN disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
CN-1177906-A Pesticidal compounds BRITISH TECH GROUP (GB) 1998-04-01 CN disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 WO 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 (7 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CYP1A2 18/4885ALDH1A1 1438/4885TRPA1 2213/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B CYP1A2 660/4885ALDH1A1 2805/4885TRPA1 397/4885
US-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 CYP1A2 805/4885ALDH1A1 2350/4885TRPA1 135/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CYP1A2 3203/4885ALDH1A1 2528/4885TRPA1 1955/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CYP1A2 21/4885ALDH1A1 983/4885TRPA1 2907/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CYP1A2 1223/4885ALDH1A1 2376/4885TRPA1 132/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA CYP1A2 77/4885ALDH1A1 1549/4885TRPA1 656/4885

“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.