SCHEMBL5085582

SCHEMBL5085582

COc1ccc2ccc(=O)oc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 1.00
CA9 Q16790 9/20 0.71
CA12 O43570 7/20 0.71
CA1 P00915 7/20 0.71
CA7 P43166 7/20 0.71
CA13 Q8N1Q1 7/20 0.71
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 5/20 0.71
HSD17B10 Q99714 5/20 0.71
MAPT P10636 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
CASP1 P29466 3/20 0.71
CASP7 P55210 3/20 0.71
ALOX15 P16050 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71

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
SCHEMBL31169352 1.00 MCL1 (1.00) MCL1CA9CA12CA1CA7
Fraxetin SCHEMBL43472 0.83 CA9 (1.00) MCL1CA9CA12CA1CA7
Fraxetin SCHEMBL30010613 0.83 CA9 (1.00) MCL1CA9CA12CA1CA7
SCHEMBL3192217 0.81 MCL1 (0.69) MCL1CA9CA12CA1CA7
SCHEMBL29396102 0.80 CA9 (1.00) MCL1CA9CA12CA1CA7
SCHEMBL3190311 0.80 CA9 (1.00) MCL1CA9CA12CA1CA7
SCHEMBL3362753 0.80 CA9 (0.70) MCL1CA9CA12CA1CA7
SCHEMBL4181037 0.80 MCL1 (0.67) MCL1CA9CA12CA1CA7
SCHEMBL16283617 0.79 CA9 (1.00) MCL1CA9CA12CA1CA7
Methoxymethane SCHEMBL2253445 0.79 CA9 (0.97) MCL1CA9CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250113823-A1 Arthropod Control Compositions FIRMENICH SA (CH) 2025-04-10 US disclosed
EP-4444095-A1 ARTHROPOD CONTROL COMPOSITIONS Firmenich SA (CH) 2024-10-16 EP disclosed
CN-114874410-B Photoinitiated self-repairing shape memory polyurethane and preparation method and application thereof 广东工业大学 2023-08-22 CN disclosed
WO-2023139053-A1 ARTHROPOD CONTROL COMPOSITIONS FIRMENICH SA (CH) 2023-07-27 WO disclosed
CN-114874410-A Photo-induced self-repairing shape memory polyurethane and preparation method and application thereof 广东工业大学 2022-08-09 CN disclosed
CN-102688231-B Drug combination JILIN SHENGYA MEDICAL TECHNOLOGY CO LTD 2014-05-21 CN disclosed
CN-102688231-B Drug combination JILIN SHENGYA MEDICAL TECHNOLOGY CO LTD 2014-05-21 CN disclosed
CN-102688231-A Drug combination JILIN SHENGYA MEDICAL TECHNOLOGY CO LTD 2012-09-26 CN disclosed
CN-102688231-A Drug combination JILIN SHENGYA MEDICAL TECHNOLOGY CO LTD 2012-09-26 CN disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 US disclosed
WO-2008128344-A1 SMALL-MOLECULE HEPATITIS C VIRUS (HCV) NS3/4A SERINE PROTEASE INHIBITORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-10-30 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 MCL1 4302/4885CA9 1119/4885CA12 1052/4885
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MCL1 3353/4885CA9 2021/4885CA12 4180/4885
US-20250113823-A1 Arthropod Control Compositions AGO2, EXOSC9, C5 MCL1 4020/4885CA9 1526/4885CA12 2723/4885

“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.