SCHEMBL2928989

SCHEMBL2928989

CC(=O)C(C)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ELANE P08246 1/20 0.51
LMNA P02545 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
ATM Q13315 1/20 0.47
CDC25B P30305 1/20 0.46
CTSB P07858 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL939536 0.90 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL998563 0.87 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939537 0.87 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2069896 0.87 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13176601 0.86 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27888658 0.86 KMT2A (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4221847 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4221853 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7213716 0.84 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2170966 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736225-A Continuous preparation method of dorterevir 华东理工大学 2024-03-22 CN claimed
CN-108569949-A A kind of synthesis 2- hydroxyls -2-(Containing methyl fluoride)The method of propionic acid 北京艾德旺科技发展有限公司 2018-09-25 CN claimed
CN-101613280-A Felodipine synthetic intermediate 2, the preparation method of 3-dichlorin benzylidene methyl acetoacetate HEFEI LIFANG MEDICATION CO LTD 2009-12-30 CN claimed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP claimed
EP-0672077-A1 PROCESS FOR THE PRODUCTION OF POLYURETHANE FOAMS EASTMAN CHEMICAL COMPANY (US) 1995-09-20 EP claimed
WO-1994013725-A1 PROCESS FOR THE PRODUCTION OF POLYURETHANE FOAMS EASTMAN CHEMICAL COMPANY (US) 1994-06-23 WO claimed
US-5234965-A Acetoacetylation of some hydroxy groups of a polyhydric compound used to react with polyisocyanate in the presence of a blowing agent and catalyst to lower the viscosity EASTMAN KODAK COMPANY (US) 1993-08-10 US claimed
CN-122010885-A Oraglycone intermediate, preparation method thereof and method for preparing key intermediate of Oraglycone 江西同和药业股份有限公司 2026-05-12 CN disclosed
CN-117736225-A Continuous preparation method of dorterevir 华东理工大学 2024-03-22 CN disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-5113011-A Acetoacetylation EASTMAN KODAK COMPANY (US) 1992-05-12 US disclosed
EP-0448602-A1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1991-10-02 EP disclosed
US-5051529-A Transesterification, amidation and acetoacetylation of amines, alcohols, mercaptans and polymers EASTMAN KODAK COMPANY (US) 1991-09-24 US disclosed
WO-1991009959-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXY-2-METHYLBUTYRATES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-11 WO disclosed
EP-0376859-A1 Method for functionalization of nucleophiles EASTMAN KODAK COMPANY (US) 1990-07-04 EP disclosed
WO-1990006911-A1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1990-06-28 WO disclosed
EP-0227454-A2 Crosslinked acetoacetic ester polymers COOK PAINT AND VARNISH INC. (US) 1987-07-01 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-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 ALDH1A1 2848/4885TDP1 1549/4885MAPK1 2916/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885TDP1 4608/4885MAPK1 3297/4885

“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.