SCHEMBL179918

SCHEMBL179918

C=C(CC(C)C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CASP1 P29466 1/20 0.36
SOAT1 P35610 1/20 0.36
THRB P10828 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL10457630 0.85 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL29142919 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL27521204 0.83 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL5089974 0.83 TSHR (0.63) ALDH1A1TSHRTDP1CA2
SCHEMBL7067240 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9747118 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL9746496 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL27976578 0.81 TSHR (0.61) ALDH1A1TSHRTDP1CA2
SCHEMBL9745588 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL7087957 0.80 TSHR (0.50) ALDH1A1TSHRNPSR1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
CN-116997630-A Fibrous materials for use in adhesives and sealants 泽菲罗斯有限公司 2023-11-03 CN disclosed
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
CN-108349048-B Weldable formulations 泽费罗斯股份有限公司 2021-11-12 CN disclosed
CN-108884364-B Epoxy patch with improved adhesion characteristics 泽菲罗斯有限公司 2021-09-10 CN disclosed
CN-108349048-A Conductive node 泽费罗斯股份有限公司 2018-07-31 CN disclosed
EP-2402353-B1 Group 4 metallocenes useful as catalysts for the polymerization of olefins BOREALIS AG (AT) 2018-04-25 EP disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
WO-1995035302-A1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 EP 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 ALDH1A1 3621/4885TSHR 1670/4885MAPT 3120/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 ALDH1A1 2005/4885TSHR 4034/4885MAPT 685/4885

“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.