SCHEMBL6314537

SCHEMBL6314537

O=COOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 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
SCHEMBL5540039 0.78 CA1 (0.46) TSHRIDO1ALDH1A1CA1CA2
SCHEMBL7566459 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10383974 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6258616 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6258622 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL177923 0.77 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
Benzene SCHEMBL25178056 0.76 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL503 0.76 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL901056 0.76 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL18983086 0.76 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899238-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-04-29 CN claimed
CN-119899238-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-04-29 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111892545-B Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2021-11-05 CN disclosed
CN-111892545-A Green synthesis method of 1-methyl-3-alkyl quinoxalinone compound 怀化学院 2020-11-06 CN disclosed
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 US disclosed
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-23 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-20070298219-A1 Optical Information Recording Medium and Information Recording Method FUJIFILM CORPORATION (JP) 2007-12-27 US disclosed
CN-100350971-C Stimulation of bone growth with thrombin peptide derivatives UNIV TEXAS (US) 2007-11-28 CN disclosed
CN-1635899-A Stimulation of bone growth with thrombin peptide derivatives UNIV TEXAS (US) 2005-07-06 CN disclosed
US-6878712-B1 Amides as inhibitors for pyruvate dehydrogenase ASTRAZENECA AB (SE) 2005-04-12 US disclosed
EP-1214287-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017942-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE ASTRAZENECA AB (SE) 2001-03-15 WO 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 (3 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-20070298219-A1 Optical Information Recording Medium and Information Recording Method CACNA1S, CACNA1E, GRIN1 TSHR 2317/4885IDO1 1917/4885AGXT 4701/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR TSHR 393/4885IDO1 4003/4885AGXT 813/4885
US-20130131351-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR TSHR 393/4885IDO1 4003/4885AGXT 813/4885

“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.