SCHEMBL472554

SCHEMBL472554

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
GAA P10253 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL30059382 1.00 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL27551575 0.98 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL5145831 0.88 TSHR (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL243431 0.87 TSHR (0.56) TSHRGAAMGAMSIMGAM2
SCHEMBL2705261 0.86 MGAM (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL15131420 0.85 MGAM (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL2702684 0.85 MGAM (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL16411295 0.84 MAPT (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL28014223 0.84 TSHR (0.65) TSHRGAAMGAMSIMGAM2
SCHEMBL21955400 0.83 MGAM (0.52) TSHRGAAMGAMSIMGAM2

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 1194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125344-A1 POLYURETHANE-ACETOACETATE COMPOUNDS PPG INDUSTRIES OHIO, INC. (US) 2026-05-07 US claimed
CN-120119462-A Preparation method of hydrophobic breathable cellulose fabric 中原工学院 2025-06-10 CN claimed
CN-119552074-A Synthetic method of isopropyl acetoacetate 浙江国邦药业有限公司 2025-03-04 CN claimed
CN-119083228-A Aramid fiber composite insulating paper, preparation method and application 广东电网有限责任公司 2024-12-06 CN claimed
EP-4423059-A2 POLYURETHANE-ACETOACETATE COMPOUNDS PPG Industries Ohio, Inc. (US) 2024-09-04 EP claimed
US-12037444-B2 Phenolic resin binder with reduced formaldehyde content ASK CHEMICALS GMBH (DE) 2024-07-16 US claimed
US-20240191024-A1 COATINGS, ADHESIVES AND ELASTOMERS UTILISING ACETOACETATE END-CAPPED POLYOL EQUUS UK TOPCO LTD (GB) 2024-06-13 US claimed
CN-118159519-A Polyurethane acetoacetate compounds PPG工业俄亥俄公司 2024-06-07 CN claimed
US-20240182634-A1 COATINGS, ADHESIVES AND ELASTOMERS UTILISING ACETOACETATE END-CAPPED POLYOL DERIVED FROM THERMOPLASTIC POLYESTERS EQUUS UK TOPCO LTD (GB) 2024-06-06 US claimed
US-20240174886-A1 ELASTOMERIC POLYMER COMPOSITIONS AND RAIL TRACK STRUCTURES AND SYSTEMS COMPRISING THE SAME EQUUS UK TOPCO LTD (GB) 2024-05-30 US claimed
WO-2004067492-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR CLARIANT GMBH (DE) 2004-08-12 WO claimed
WO-2004061026-A1 SELF-CROSSLINKING AQUEOUS ACETOACETATE-FUNCTIONALIZED SULFONATED ALKYD SYSTEMS EASTMAN CHEMICAL COMPANY (US) 2004-07-22 WO claimed
US-20040115437-A1 Dual cure reaction products of self-photoinitiating multifunction acrylates with cycloaliphatic epoxy compounds ASHLAND INC. (US) 2004-06-17 US claimed
US-6683132-B1 COATING COMPRISING MONOFUNCTIONAL CYCLOALIPHATIC SECONDARY AMINE AND POLYFUNCTIONAL PRIMARY AMINE; ADHESIVES, INKS, PRIMERS, AND OVERPRINT VARNISHES EASTMAN CHEMICAL COMPANY 2004-01-27 US claimed
WO-2004002958-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ISOBUTYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINE DICARBOXYLATE (NISOLDIPINE) ERREGIERRE, S.P.A. (IT) 2004-01-08 WO claimed
CN-1054602-C Meta-nisoldipine and its synthetic method HEBEI MEDICAL COLLEGE (CN) 2000-07-19 CN claimed
EP-0367132-B1 Light-sensitive composition BASF AG (DE) 1997-04-02 EP claimed
CN-1094397-A Meta-nisoldipine and synthetic method thereof HEBEI MEDICAL COLLEGE (CN) 1994-11-02 CN claimed
US-5034305-A Mixtures for photoresists of water insolublr binders soluble in alkaline mixtures, compound forming a strong acid and solubility inhibitors BASF AKTIENGESELLSCHAFT (DE) 1991-07-23 US claimed
US-5017649-A Low temperature crosslinking EASTMAN KODAK COMPANY (US) 1991-05-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20260125344-A1 POLYURETHANE-ACETOACETATE COMPOUNDS HAT1, PUF60, GAR1 TSHR 4304/4885GAA 2371/4885MGAM 2491/4885

“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.