SCHEMBL527804

SCHEMBL527804

C=CCOC(=O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 3/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8672977 0.98 TSHR (0.46) TSHRTDP1MAPTCACNA1BAPBA1
Malonic Acid SCHEMBL31256740 0.98 TSHR (0.46) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL309469 0.98 TSHR (0.46) TSHRTDP1MAPTCACNA1BAPBA1
Butane SCHEMBL3817891 0.92 TSHR (0.55) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL7690120 0.89 TSHR (0.43) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL57069 0.87 TSHR (0.52) TSHRTDP1MAPTCACNA1BAPBA1
Acetoacetic Acid SCHEMBL1318189 0.86 TSHR (0.44) TSHRTDP1MAPTCACNA1BAPBA1
Lithium SCHEMBL31366079 0.85 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL8865453 0.85 TSHR (0.50) TSHRTDP1MAPTCACNA1BAPBA1
SCHEMBL8521347 0.85 TDP1 (0.36) TSHRTDP1MAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335358-B Synthesis of Capsaicin Derivatives 阿克西赫姆公司 2024-07-12 CN claimed
CN-114478229-B Preparation method of azelaic acid 武汉华尔生物科技有限公司 2024-07-12 CN claimed
EP-4352129-A1 MICHAEL ADDITION CURABLE COMPOSITION, COATING COMPOSITION CONTAINING THE SAME, AND COATED ARTICLE Guangdong Huarun Paints Co. Ltd. (CN) 2024-04-17 EP claimed
US-11891351-B2 Synthesis of capsaicin derivatives AXICHEM AS (NO) 2024-02-06 US claimed
CN-116375550-A Method for resolving racemate compound by enantioselective reverse micelle extraction 中南大学 2023-07-04 CN claimed
CN-115466532-B Michael addition curable composition, coating composition comprising the same, and coated article 广东华润涂料有限公司 2023-05-02 CN claimed
US-20230060251-A1 SYNTHESIS OF CAPSAICIN DERIVATIVES AXICHEM AS (NO) 2023-03-02 US claimed
EP-4121408-A1 SYNTHESIS OF CAPSAICIN DERIVATIVES Axichem AB (NO) 2023-01-25 EP claimed
US-20230002635-A1 MICHAEL ADDITION CURABLE COMPOSITION, COATING COMPOSITION CONTAINING THE SAME, AND COATED ARTICLE Sherwin-Williams (Guangdong) New Material Co., Ltd. (CN) 2023-01-05 US claimed
WO-2022257689-A1 MICHAEL ADDITION CURABLE COMPOSITION, COATING COMPOSITION CONTAINING THE SAME, AND COATED ARTICLE GUANGDONG HUARUN PAINTS CO., LTD. (CN) 2022-12-15 WO claimed
EP-0152319-B1 PROCESS FOR OBTAINING COMPOUNDS WITH AN ALKOXYACYLIDENE GROUP RHONE-POULENC CHIMIE (FR) 1987-07-22 EP claimed
EP-0168305-B1 PROCESS FOR THE STABILISATION OF ALKYL ALKOXYALKYLIDENE MALONATES RHONE-POULENC CHIMIE (FR) 1987-04-22 EP claimed
EP-0195053-A1 PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR. CHEVRON RES & TECH (US) 1986-09-24 EP claimed
WO-1986002065-A1 PROCESS FOR PREPARING 1,3-CYCLOHEXANEDIONE DERIVATIVES AND INTERMEDIATES THEREFOR CHEVRON RESEARCH COMPANY (US) 1986-04-10 WO claimed
US-4535137-A Method for making a salt free solid polymer from a polymer emulsion ROHM GMBH (DE) 1985-08-13 US claimed
US-4495354-A Process for bicyclic diketones HOFFMANN-LA ROCHE INC. (US) 1985-01-22 US claimed
EP-0040469-B1 POLYURETHANE SEALANT SYSTEM AND METHOD OF FORMING A HIGH TENSILE STRENGTH SEAL ON GLASS AND/OR METAL Products Research and Chemical Corporation (US) 1984-07-25 EP claimed
EP-0049555-B1 2-TRIFLUOROMETHYL-4-HYDROXY-3 QUINOLINE-CARBOXYLIC-ACID DERIVATIVES AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1984-02-22 EP claimed
US-4343915-A THERMOSET PROTECTIVE COATINGS SCM CORPORATION (US) 1982-08-10 US claimed
US-4284751-A Polyurethane sealant system PRODUCTS RESEARCH & CHEMICAL CORP. (US) 1981-08-18 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 (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-11891351-B2 Synthesis of capsaicin derivatives TRPV1, TRPV6, HCAR3 TSHR 4786/4885TDP1 4355/4885MAPT 3096/4885
US-20230060251-A1 SYNTHESIS OF CAPSAICIN DERIVATIVES TRPV1, TRPV6, HCAR3 TSHR 4786/4885TDP1 4355/4885MAPT 3096/4885

“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.