SCHEMBL2625

SCHEMBL2625

CC(=O)OCCC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
GALR3 O60755 2/20 0.43

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
SCHEMBL21082022 0.91 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12951424 0.84 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4229823 0.82 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL3692526 0.80 ALDH1A1 (0.43) ALDH1A1CHRM1TBXA2RTSHRGAA
SCHEMBL29083843 0.79 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL30149940 0.79 ALDH1A1 (0.42) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4696007 0.78 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15056991 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL15449198 0.78 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13034084 0.78 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016966-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS Arylessence, Inc. 2024-01-18 US claimed
US-11806448-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2023-11-07 US claimed
CN-114965735-B Multivariate statistical analysis method of aconite 神威药业集团有限公司 2023-04-25 CN claimed
CN-114965736-B High performance liquid chromatography detection method and high performance liquid chromatography tandem mass spectrometry combined detection method for aconite 神威药业集团有限公司 2023-04-21 CN claimed
CN-114965735-A Multivariate statistical analysis method of monkshood 神威药业集团有限公司 2022-08-30 CN claimed
CN-114965736-A High performance liquid chromatography detection method and high performance liquid chromatography-tandem mass spectrometry combined detection method for monkshood 神威药业集团有限公司 2022-08-30 CN claimed
CN-111443147-B Method for detecting salbutamol in food 中维安全检测认证集团有限公司 2022-05-06 CN claimed
CN-109839452-B Molecular imprinting stirring rod and preparation method and application thereof 湖南省产商品质量监督检验研究院 2022-04-26 CN claimed
CN-114369050-A Method for separating and purifying lutein from marigold oleoresin 山东天音生物科技有限公司 2022-04-19 CN claimed
US-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2021-06-24 US claimed
CN-109336870-A Carbazoles STAT3 inhibitor crystal form I and preparation method thereof 南京先进生物材料与过程装备研究院有限公司 2019-02-15 CN claimed
CN-109096218-A Hydrochloric acid Ao Dateluo crystal form A and preparation method thereof 上海方予健康医药科技有限公司 2018-12-28 CN claimed
CN-109061018-A A kind of pre-treating method preventing high protein content matrix gelation 山东省新世纪检测认证中心有限公司 2018-12-21 CN claimed
CN-109061019-A A kind of pre-treating method preventing high collagen content matrix gelation 山东省新世纪检测认证中心有限公司 2018-12-21 CN claimed
CN-108459096-A Using black suitable piece extracting solution and the ginseng aconite injection liquid let pass in real time obtained by method in black suitable piece automation extraction process 华润三九(雅安)药业有限公司 2018-08-28 CN claimed
CN-106518862-B The preparation method of impurity in a kind of amyl ethyl quin ether hydrochloride 海口南陆医药科技股份有限公司 2018-07-03 CN claimed
CN-107759649-A A kind of tofogliflozin novel crystal forms 威海贯标信息科技有限公司 2018-03-06 CN claimed
CN-106957349-A A kind of Desloratadine impurity compound and its production and use 深圳市海滨制药有限公司 2017-07-18 CN claimed
CN-106518862-A Preparation method of impurity in penehyclidine hydrochloride 海口南陆医药科技股份有限公司 2017-03-22 CN claimed
CN-104678021-B A kind of method of 3 kinds of diester-type diterpene alkaloid class materials in yellow Radix Aconiti Kusnezoffii of mensuration simultaneously 云南中医学院 2016-06-29 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20210188856-A1 CRYSTAL FORM OF HYDROCHLORIDE OF PYRAZOLOHETEROARYL DERIVATIVE AND PREPARATION METHOD CYP2F1, CYP7A1, CYP11B2 ALDH1A1 1161/4885CHRM5 1823/4885CHRM1 1957/4885

“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.