SCHEMBL3933287

SCHEMBL3933287

COC(=O)c1cccc(C2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.54
▸ TSHR P16473 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ PPM1B O75688 1/20 0.45
▸ PDE4D Q08499 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44

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
SCHEMBL8414748 0.93 KMO (0.64) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL26154174 0.93 KMO (0.59) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL1787841 0.92 KMO (0.67) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL30488777 0.89 HTR2C (0.57) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL233530 0.89 HTR2C (0.57) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL1365739 0.89 KMO (0.48) KMOTSHRLOXL2CYP4F2CYP4A11
SCHEMBL31706124 0.89 HTR2C (0.57) KMOTSHRLOXL2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL975329 0.88 HTR2C (0.58) KMOLOXL2ALDH1A1KDM4EKMT2A
SCHEMBL26471704 0.88 KMT2A (0.50) KMOALDH1A1KDM4EKMT2APOLB
SCHEMBL29163107 0.87 LOXL2 (0.46) KMOTSHRLOXL2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423741-B aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2023-11-07 — — CN disclosed
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
CN-109206417-B Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2023-01-03 — — CN disclosed
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 — — CN disclosed
CN-114423741-A aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2022-04-29 — — CN disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
CN-112341399-A 1,2, 4-triazole derivative compounds and application thereof in treating inflammatory bowel diseases 王健 2021-02-09 — — CN disclosed
CN-109206417-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2019-01-15 — — CN disclosed
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 — — WO disclosed
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 — — WO disclosed
EP-1966174-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 — — EP disclosed
WO-2007071955-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 — — EP disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 — — WO disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 — — WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 — — 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 (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-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KMO 4117/4885TSHR 4463/4885LOXL2 664/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF KMO 2682/4885TSHR 4042/4885LOXL2 3795/4885

“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.

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