SCHEMBL1428085

SCHEMBL1428085

CCOC(=O)CCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 6/20 0.44
TRPA1 O75762 1/20 0.44
POLB P06746 3/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL27526995 0.87 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28378490 0.84 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3368077 0.84 ALDH1A1 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL18306794 0.84 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27940048 0.84 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27940125 0.84 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28070789 0.83 CYP1A2 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6329652 0.81 GAA (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11075305 0.80 ALDH1A1 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL12859411 0.80 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110174819-A Photoresist 深圳市华星光电技术有限公司 2019-08-27 CN claimed
US-11939302-B2 Compounds for the treatment of Alzheimer's disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2024-03-26 US disclosed
WO-2023162653-A1 RESIST UNDERLAYER FILM FORMATION COMPOSITION 日産化学株式会社 2023-08-31 WO disclosed
WO-2023145923-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION FOR NANOIMPRINTING 日産化学株式会社 2023-08-03 WO disclosed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
US-20220119356-A1 Compounds for the Treatment of Alzheimer's Disease THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-21 US disclosed
US-11034986-B1 Comamonas testosteroni strain and use thereof for the synthesis of 5-hydroxymethyl-2-furancarboxylic acid SOUTH CHINA UNIVERSITY OF TECHNOLOGY 2021-06-15 US disclosed
CN-107365724-B Comamonas testosteroni and application thereof in synthesis of 5-hydroxymethyl furoic acid 华南理工大学 2020-04-28 CN disclosed
WO-2019194107-A1 RESIN COMPOSITION JNC株式会社 2019-10-10 WO disclosed
WO-2019194108-A1 UREA-BINDING TETRAFUNCTIONAL (METH)ACRYLATE COMPOUND AND COMPOSITION CONTAINING SAME JNC株式会社 2019-10-10 WO disclosed
EP-2299816-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
US-4526798-A Mixtures of one or more C4 -C10 -n-alkanoic acids with the ethyl ester of 2-hydroxy-4-methyl pentanoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-07-02 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 (3 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR CYP1A2 4039/4885GAA 1721/4885MGAM 2872/4885
US-20220119356-A1 Compounds for the Treatment of Alzheimer's Disease IAPP, GPR119, APP CYP1A2 4364/4885GAA 74/4885MGAM 446/4885
US-11939302-B2 Compounds for the treatment of Alzheimer's disease IAPP, GPR119, APP CYP1A2 4364/4885GAA 74/4885MGAM 446/4885

“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.