SCHEMBL3045141

SCHEMBL3045141

CCCCCCC(C)COC=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.46
ADH1C P00326 2/20 0.46
ADH1A P07327 2/20 0.46
ADH4 P08319 2/20 0.46
ADH7 P40394 2/20 0.46
ACE2 Q9BYF1 1/20 0.44
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.39
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
OPRM1 P35372 1/20 0.37
SMPD1 P17405 3/20 0.36
TRPA1 O75762 1/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
MAPT P10636 1/20 0.36
FDPS P14324 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL28087567 1.00 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27855045 1.00 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3042552 0.98 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL28112865 0.96 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL385559 0.92 TSHR (0.40) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL29133121 0.90 TSHR (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL103021 0.83
SCHEMBL27480469 0.82 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27721174 0.82 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3034938 0.82 ACE2 (0.47) 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
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN claimed
CN-104926736-B A kind of synthetic method of Fluoxastrobin and its intermediate 重庆紫光化工股份有限公司 2019-05-17 CN claimed
CN-103917095-A Combination treatments for hepatitis c GLAXOSMITHKLINE LLC 2014-07-09 CN claimed
CN-110357782-B Preparation method of medium-long chain fatty alcohol and ester thereof 中国科学技术大学 2022-03-01 CN disclosed
CN-111689854-A Process for preparing 3-carbonyl-bicyclo [2.2.2] octane-2-formate 广东莱佛士制药技术有限公司 2020-09-22 CN disclosed
CN-110446711-A INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD 2019-11-12 CN disclosed
CN-110357782-A A kind of preparation method of middle long-chain fatty alcohol and its ester 中国科学技术大学 2019-10-22 CN disclosed
CN-106854205-B Inhibitors of influenza virus replication and methods of use and uses thereof 广东东阳光药业有限公司 2019-07-09 CN disclosed
CN-109843894-A Beta-lactamase inhibitor 诺华股份有限公司 2019-06-04 CN disclosed
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN disclosed
CN-109748915-A Inhibitors of influenza viruses replication and its application method and purposes 广东东阳光药业有限公司 2019-05-14 CN disclosed
CN-101406471-A Novel heterocyclic compounds which are active as inhibitors of beta-lactamases AVENTIS PHARMA SA (FR) 2009-04-15 CN disclosed
CN-1994301-A Heterocyclic compounds which are active as inhibitors of beta lactamases AVENTIS PHARMA SA (FR) 2007-07-11 CN disclosed
CN-1662242-A Pharmaceutical compositions for the treatment of diseases related to neurotrophines MIMETECH S R L (IT) 2005-08-31 CN disclosed
CN-1655781-A Novel heterocyclic compounds having beta-lactamase inhibitor activity AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
US-20030119806-A1 Azetidine derivatives, processes for their preparation and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2003-06-26 US disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
US-6300333-B1 COMPOUNDS AS FUNGICIDES, MITICIDES OR INSECTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-09 US disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 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 (2 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-20030119806-A1 Azetidine derivatives, processes for their preparation and their use as pesticides DDT, CHRM1, CNTN1 ADH1B 2270/4885ADH1C 233/4885ADH1A 1366/4885
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 ADH1B 2795/4885ADH1C 538/4885ADH1A 1191/4885

“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.