SCHEMBL2617898

SCHEMBL2617898

CCOC(=O)C(C)CC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL14593938 0.84 MMP8 (0.47) MMP8ALDH1A1CYP2C19CYP3A4GAA
SCHEMBL16438140 0.82 ACACB (0.39) ACACBACACACYP1A2CYP2C9
SCHEMBL17278939 0.82 ACACB (0.37) MMP8ACACBACACAALDH1A1CYP2C19
SCHEMBL28291065 0.81 MMP8 (0.43) MMP8ALDH1A1CYP2C19CYP3A4GAA
SCHEMBL12598259 0.81 MMP8 (0.45) MMP8ALDH1A1CYP2C19CYP3A4GAA
Dimebutic Acid SCHEMBL30499226 0.81 ACACB (0.34) MMP8ACACBACACAALDH1A1CYP2C19
SCHEMBL13252739 0.81 MMP8 (0.38) MMP8ALDH1A1CYP2C19CYP3A4GAA
SCHEMBL18886818 0.80 ACACB (0.36) ACACBACACA
SCHEMBL18886824 0.80 ACACB (0.36) ACACBACACA
SCHEMBL14307176 0.78 ACACB (0.35) ACACBACACAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288589-B1 FRUITY ODORANT FIRMENICH & CIE (CH) 2013-01-02 EP claimed
US-20230346733-A1 ORAL FORMULATIONS OF BIPOLAR TRANS CAROTENOIDS DIFFUSION PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-20230301923-A1 MUCO-ADHESIVE, CONTROLLED RELEASE FORMULATIONS OF LEVODOPA AND/OR ESTERS OF LEVODOPA AND USES THEREOF IMPAX LABORATORIES, LLC (US) 2023-09-28 US disclosed
US-11666538-B2 Muco-adhesive, controlled release formulations of levodopa and/or esters of levodopa and uses thereof IMPAX LABORATORIES, LLC (US) 2023-06-06 US disclosed
US-10016384-B2 Oral formulations of bipolar trans carotenoids DIFFUSION PHARMACEUTICALS LLC (US) 2018-07-10 US disclosed
US-20180000903-A1 Tablets Comprising GLP-1 Agonist and Enteric Coating NOVO NORDISK A/S (DK) 2018-01-04 US disclosed
US-20160354315-A1 DOSAGE FORMS AND USE THEREOF Triastek, Inc. (CN) 2016-12-08 US disclosed
US-20160354315-A1 DOSAGE FORMS AND USE THEREOF Triastek, Inc. (CN) 2016-12-08 US disclosed
US-20160296427-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS KONINKLIJKE PHILIPS N.V. (NL) 2016-10-13 US disclosed
US-20160296427-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS KONINKLIJKE PHILIPS N.V. (NL) 2016-10-13 US disclosed
US-20100189790-A1 Delayed release rasagiline formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20100190859-A1 Monorasagiline citrate; salt formation; monoamine oxidase inhibitors; side effects reduction; carriers; tablets; transdermal patches; Parkinson's disease; brain disorders; nervous system disorders; neurodegenerative disease; multiple sclerosis TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2010-07-29 US disclosed
US-20100190859-A1 Monorasagiline citrate; salt formation; monoamine oxidase inhibitors; side effects reduction; carriers; tablets; transdermal patches; Parkinson's disease; brain disorders; nervous system disorders; neurodegenerative disease; multiple sclerosis TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2010-07-29 US disclosed
US-20100189791-A1 Delayed release rasagiline malate formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20100189791-A1 Delayed release rasagiline malate formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20100189790-A1 Delayed release rasagiline formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20100189788-A1 Delayed release rasagiline base formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20100189788-A1 Delayed release rasagiline base formulation TEVA PHARMACEUTICAL INDUSTRIES, LTD. 2010-07-29 US disclosed
US-20090181086-A1 Rasagiline formulations, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-07-16 US disclosed
US-20090181086-A1 Rasagiline formulations, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-07-16 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 (12 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-20230346733-A1 ORAL FORMULATIONS OF BIPOLAR TRANS CAROTENOIDS CRY1, CYP11B1, BBC3 MMP8 4249/4885ACACB 1497/4885ACACA 1284/4885
US-20100189790-A1 Delayed release rasagiline formulation RAB7A, RAB27A, RAB35 MMP8 3054/4885ACACB 3969/4885ACACA 4051/4885
US-20100190859-A1 Monorasagiline citrate; salt formation; monoamine oxidase inhibitors; side effects reduction; carriers; tablets; transdermal patches; Parkinson's disease; brain disorders; nervous system disorders; neurodegenerative disease; multiple sclerosis MAOA, PARK7, SLC18A2 MMP8 2552/4885ACACB 1488/4885ACACA 951/4885
US-11666538-B2 Muco-adhesive, controlled release formulations of levodopa and/or esters of levodopa and uses thereof COMT, MUC1, MLNR MMP8 3922/4885ACACB 2811/4885ACACA 1848/4885
US-20160354315-A1 DOSAGE FORMS AND USE THEREOF CYP2D6, CYP3A7, CYP3A5 MMP8 4127/4885ACACB 2027/4885ACACA 1965/4885
US-10016384-B2 Oral formulations of bipolar trans carotenoids CRY1, CYP11B1, BBC3 MMP8 4249/4885ACACB 1497/4885ACACA 1284/4885
US-20100189788-A1 Delayed release rasagiline base formulation RAB7A, RAB27A, RAB5B MMP8 3345/4885ACACB 4078/4885ACACA 4130/4885
US-20090181086-A1 Rasagiline formulations, their preparation and use RAB5B, RAB27A, RAB29 MMP8 2710/4885ACACB 4231/4885ACACA 4253/4885
US-20160296427-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS OLA1, OTC, LPO MMP8 22/4885ACACB 3091/4885ACACA 2119/4885
US-20100189791-A1 Delayed release rasagiline malate formulation MDH1, MDH2, SLC25A11 MMP8 2984/4885ACACB 1696/4885ACACA 1570/4885
US-20180000903-A1 Tablets Comprising GLP-1 Agonist and Enteric Coating GLP1R, GIPR, SLC10A2 MMP8 3903/4885ACACB 2950/4885ACACA 1285/4885
US-20230301923-A1 MUCO-ADHESIVE, CONTROLLED RELEASE FORMULATIONS OF LEVODOPA AND/OR ESTERS OF LEVODOPA AND USES THEREOF COMT, MLNR, MUC1 MMP8 4423/4885ACACB 2562/4885ACACA 2392/4885

“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.