Sugi Predict

Sugi Predict / Compounds / SCHEMBL4457286

SCHEMBL4457286

SCHEMBL4457286

Cc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ MMP2 P08253 2/20 0.47
▸ MMP12 P39900 2/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ AGXT P21549 2/20 0.47
▸ MAOB P27338 1/20 0.46
▸ P2RX4 Q99571 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 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
SCHEMBL260370 0.94 MMP12 (0.45) ALDH1A1MMP2MMP12MMP1MMP9
SCHEMBL15762727 0.92 ALDH1A1 (0.48) ALDH1A1CA1CA2POLBMEN1
SCHEMBL25454006 0.90 MAPT (0.47) ALDH1A1MMP2MMP12MMP1MMP9
SCHEMBL14464460 0.90 MAOB (0.62) ALDH1A1NPC1RAB9AMAOBPARP10
SCHEMBL12885598 0.86 MAOB (0.57) ALDH1A1NPC1RAB9AMAOBPARP10
SCHEMBL13485171 0.85 ALDH1A1 (0.46) ALDH1A1MMP2MMP12MMP1MMP9
SCHEMBL16124532 0.85 RAB9A (0.49) ALDH1A1MMP2MMP12MMP1MMP9
SCHEMBL13517221 0.84 MMP2 (0.47) ALDH1A1MMP2MMP12MMP1MMP9
SCHEMBL24983721 0.84 ALDH1A1 (0.62) ALDH1A1CA1CA2POLBMEN1
SCHEMBL13517220 0.84 MMP2 (0.47) ALDH1A1MMP2MMP12MMP1MMP9

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2024-07-09 — — US disclosed
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2023-11-09 — — US disclosed
US-11744876-B2 Immunomodulator antibody drug conjugates and uses thereof SUTRO BIOPHARMA, INC. (US) 2023-09-05 — — US disclosed
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2023-09-05 — — US disclosed
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-29 — — US disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — US disclosed
US-20170145139-A1 METHODS OF MAKING CROSSLINKED COPOLYMER FILMS FROM INIMER-CONTAINING RANDOM COPOLYMERS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-05-25 — — US disclosed
US-9321781-B2 Topoisomerase inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-26 — — US disclosed
US-20140235755-A1 INIMER-CONTAINING RANDOM COPOLYMERS AND CROSSLINKED COPOLYMER FILMS FOR DENSE POLYMER BRUSH GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-21 — — US disclosed
US-20120237531-A1 TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-09-20 — — US disclosed
US-20120237531-A1 TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-09-20 — — US disclosed
US-7638479-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-12-29 — — US disclosed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 — — US disclosed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 — — US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 — — 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 (9 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-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 ALDH1A1 2199/4885MMP2 4342/4885MMP12 4639/4885
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 ALDH1A1 2199/4885MMP2 4342/4885MMP12 4639/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B ALDH1A1 2132/4885MMP2 3459/4885MMP12 4008/4885
US-11744876-B2 Immunomodulator antibody drug conjugates and uses thereof FCGR1A, FCGR2A, FCGRT ALDH1A1 702/4885MMP2 4335/4885MMP12 379/4885
US-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 ALDH1A1 904/4885MMP2 1327/4885MMP12 2957/4885
US-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 ALDH1A1 141/4885MMP2 3328/4885MMP12 4049/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B ALDH1A1 2132/4885MMP2 3459/4885MMP12 4008/4885
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 ALDH1A1 2199/4885MMP2 4342/4885MMP12 4639/4885
US-20120237531-A1 TOPOISOMERASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 3811/4885MMP2 2026/4885MMP12 1568/4885

“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.