SCHEMBL6253950

SCHEMBL6253950

O=C(O)CC(=O)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
CES1 P23141 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL2611692 0.91 TSHR (0.58) TSHRLMNAF2TDP1KMT2A
SCHEMBL9578313 0.86 HPGD (0.61) TSHRLMNAF2TDP1KMT2A
SCHEMBL5164177 0.84 TSHR (0.55) TSHRLMNAF2TDP1KMT2A
SCHEMBL7542641 0.84 CA1 (0.53) TSHRLMNATDP1KMT2AALDH1A1
SCHEMBL9318015 0.83 LMNA (0.56) TSHRLMNAF2TDP1KMT2A
SCHEMBL3311087 0.82 NR4A2 (0.55) TSHRLMNAF2TDP1KMT2A
SCHEMBL23850581 0.81 TSHR (0.47) TSHRLMNAF2TDP1KMT2A
SCHEMBL3994317 0.81 LMNA (0.54) TSHRLMNAF2TDP1KMT2A
Water SCHEMBL21440321 0.81 LMNA (0.54) TSHRLMNAF2TDP1KMT2A
SCHEMBL242716 0.81 LMNA (0.57) TSHRLMNAF2TDP1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117535970-B Antibacterial wear-resistant textile material and preparation method thereof 淄博鑫柏源纺织有限公司 2024-04-02 CN claimed
CN-117535970-A Antibacterial wear-resistant textile material and preparation method thereof 淄博鑫柏源纺织有限公司 2024-02-09 CN claimed
JP-9031022-A None JP disclosed
JP-9031022-A None JP disclosed
CN-117535970-B Antibacterial wear-resistant textile material and preparation method thereof 淄博鑫柏源纺织有限公司 2024-04-02 CN disclosed
CN-117535970-A Antibacterial wear-resistant textile material and preparation method thereof 淄博鑫柏源纺织有限公司 2024-02-09 CN disclosed
CN-117105783-A Synthesis method, intermediate and application of R-3-acyloxy-alkanoic acid 北京科兴中维生物技术有限公司 2023-11-24 CN disclosed
US-20230174570-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2023-06-08 US disclosed
WO-2020132792-A1 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏联化科技有限公司 2020-07-02 WO disclosed
CN-104540902-B Light polymerization process, ink group, image forming method, ink composite and the Photoepolymerizationinitiater initiater used in them and water-soluble union II imidazoles 富士胶片株式会社 2018-04-24 CN disclosed
WO-2005061462-A2 DIARYL PYRAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ-3 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-07-07 WO disclosed
WO-1999065875-A1 TELOMERASE INHIBITORS GERON CORPORATION (US) 1999-12-23 WO disclosed
JP-H0931022-A PRODUCTION OF BENZOYL MALONATE COMPOUNDS IHARA CHEM IND CO LTD 1997-02-04 JP disclosed
JP-H0931022-A PRODUCTION OF BENZOYL MALONATE COMPOUNDS IHARA CHEM IND CO LTD 1997-02-04 JP disclosed
US-5237060-A Cyclization; amination BAYER AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
US-4816451-A Antibacterial 1,8-bridged 4-quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-03-28 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 (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-20230174570-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS CYP51A1, CCR5, CYP4A11 TSHR 3530/4885LMNA 4023/4885F2 2416/4885

“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.