SCHEMBL4491334

SCHEMBL4491334

COC(=O)C(C(=O)OC)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
TP53 P04637 1/20 0.59
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SLC6A3 Q01959 2/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 2/20 0.41
CA9 Q16790 2/20 0.41
EPHX1 P07099 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL19942011 0.98 TP53 (0.62) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6862095 0.98 TP53 (0.62) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL19941727 0.98 TP53 (0.62) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL9488672 0.87 TP53 (0.57) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL4970293 0.87 TP53 (0.57) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6650169 0.84 TP53 (0.54) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6651323 0.84 TP53 (0.54) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL17073955 0.82 TP53 (0.49) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2554561 0.82 TP53 (0.47) THRBTP53ALDH1A1NPSR1SMN1; SMN2
SCHEMBL20740436 0.80 TP53 (0.50) THRBTP53ALDH1A1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118222769-A Multi-carboxylic acid group high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-21 CN claimed
CN-118186152-A Multifunctional high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-14 CN claimed
CN-114605622-B Aliphatic polyester with malonic acid structure, and preparation method and application thereof 苏州瀚海新材料有限公司 2024-04-02 CN claimed
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN claimed
CN-114605622-A Aliphatic polyester with malonic acid structure and preparation method and application thereof 苏州瀚海新材料有限公司 2022-06-10 CN claimed
US-12221524-B2 Polymerization initiator, curable composition, dental material, and preparation kit for curable composition MITSUI CHEMICALS, INC. (JP) 2025-02-11 US disclosed
CN-118222769-A Multi-carboxylic acid group high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-21 CN disclosed
CN-118186152-A Multifunctional high-absorption chrome tanning auxiliary agent containing barbituric acid structure and preparation method thereof 南京工业大学 2024-06-14 CN disclosed
CN-114605622-B Aliphatic polyester with malonic acid structure, and preparation method and application thereof 苏州瀚海新材料有限公司 2024-04-02 CN disclosed
CN-117700654-A Copolyester for weather-resistant coating and preparation method and application thereof 中瀚新材料科技有限公司 2024-03-15 CN disclosed
WO-2023216615-A1 METHOD FOR SYNTHESIZING DIMETHYL 3-(3-OXO-2-PENTYL)CYCLOPENTYLMALONATE AND CATALYST 浙江新化化工股份有限公司 2023-11-16 WO disclosed
US-20230323084-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2023-10-12 US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 US disclosed
WO-2015200619-A1 INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2015-12-30 WO disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 US disclosed
US-6495639-B1 STEREOSPECIFIC HOMO- OR CO- SLURRY POLYMERIZATION; TITANIUM AND MAGNESIUM DIESTER COMPLEX WITH SUCH AS TRIETHYLALUMINIUM AND DICYCLOPENTYLDIMETHOXYSILANE; HIGH ACTIVITY, SAFE, INEXPENSIVE, EASY TO PRODUCE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-6204215-B1 AS POLYMERIZATION CATALYST FOR PRODUCING STEREOSPECIFIC POLYMERS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-20 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 (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-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 THRB 2803/4885TP53 1952/4885ALDH1A1 619/4885
US-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 THRB 3504/4885TP53 3122/4885ALDH1A1 535/4885

“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.