SCHEMBL773429

SCHEMBL773429

COC(=O)c1cccc(C)c1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
NR4A2 P43354 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CFTR P13569 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
MYC P01106 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 3/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL28434064 0.89 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL28252448 0.89 CA12 (0.48) CA1CA2CA9CA12CA7
SCHEMBL28925286 0.89 CA12 (0.48) CA1CA2CA9CA12CA7
SCHEMBL4830387 0.89 ALDH1A1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL8156698 0.89 NR4A2 (0.49) CA1CA2CA9CA12CA7
SCHEMBL403705 0.87 CA12 (0.64) CA1CA2CA9CA12CA7
SCHEMBL1666445 0.87 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL11101842 0.87 NR4A2 (0.47) CA1CA2CA9CA12CA7
SCHEMBL28421849 0.86 CA12 (0.46) CA1CA2CA9CA12CA7
SCHEMBL27754773 0.86 CA12 (0.46) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors THE UNIVERSITY OF TOLEDO (US) 2019-10-22 US claimed
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2018-09-06 US claimed
CN-105622800-B A kind of catalytic component and its catalyst system for olefinic polyreaction 中国石油化工股份有限公司 2017-12-19 CN claimed
WO-2017040376-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2017-03-09 WO claimed
CN-103524304-B Preparation method of 1,4-cyclohexanedimethanol SHANGYU SUNFIT CHEMICAL CO LTD 2015-02-04 CN claimed
CN-102559032-B Low-temperature spraying combination material, and preparation method and application of low-temperature spraying combination material SHANGHAI FUJIA FINE CHEMICAL CO LTD 2014-05-07 CN claimed
JP-58005379-A None JP disclosed
WO-2023249968-A1 BIFUNCTIONAL COMPOUNDS CONTAINING PYRIDO[2,3-DJPYRIMIDIN-7(8H)-ONE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-112692725-B Composition for polishing pad and polishing pad SKC索密思株式会社 2023-05-16 CN disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 EP disclosed
WO-2022140472-A1 COMPOUNDS FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEOSOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2021131980-A1 BINDER COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY ELECTRODES, SLURRY COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY ELECTRODES, ELECTRODE FOR NON-AQUEOUS SECONDARY BATTERIES, AND NON-AQUEOUS SECONDARY BATTERY 日本ゼオン株式会社 2021-07-01 WO disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO disclosed
WO-2007047646-A2 SUBSTITUTED DIHYDRO-ISOINDOLONES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-26 WO disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
WO-1999050259-A2 SYNTHESIS OF POLYSUBSTITUTED AROMATIC COMPOUNDS AND AROMATISATION PROCESS FOR USE THEREIN WHITE KNIGHT BIOTECHNOLOGIES LIMITED (GB) 1999-10-07 WO disclosed
JP-S585379-A SOLVENT TYPE PAINT SHIRAISHI CHUO KENKYUSHO:KK 1983-01-12 JP disclosed
US-4303695-A ACTINIC RADIATION CURABLE COATING BISCAYNE DECORATIVE PRODUCTS, INC. (US) 1981-12-01 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 (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-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors NAT1, SAT1, NAALAD2 CA1 451/4885CA2 1090/4885CA9 836/4885
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS NAT1, SAT1, NAALAD2 CA1 451/4885CA2 1090/4885CA9 836/4885
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders MAP3K20, MAP3K3, MAP3K19 CA1 4754/4885CA2 3849/4885CA9 4828/4885

“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.