SCHEMBL70232

SCHEMBL70232

COC(=O)c1cc(C)cc(C(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 3/20 0.60
CA9 Q16790 3/20 0.60
CA14 Q9ULX7 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CNR2 P34972 2/20 0.60
KDM4E B2RXH2 4/20 0.58
XDH P47989 2/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
GAA P10253 1/20 0.58
NFKB1 P19838 1/20 0.58
GFER P55789 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
FUT7 Q11130 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.95 CNR2 (0.66) ATMCA12CA1CA2CA7
SCHEMBL166126 0.91 TPMT (0.64) ATMCA12CA1CA2CA7
SCHEMBL3351858 0.91 ATM (0.53) ATMCA12CA1CA2CA7
SCHEMBL147169 0.89 CA1 (0.71) ATMCA12CA1CA2CA7
SCHEMBL18938219 0.89 ATM (0.52) ATMCA12CA1CA2CA7
SCHEMBL18883015 0.88 CNR2 (0.50) ATMCA12CA1CA2CA7
SCHEMBL2259905 0.87 CA12 (0.76) ATMCA12CA1CA2CA7
SCHEMBL31208002 0.87 CA12 (0.76) ATMCA12CA1CA2CA7
SCHEMBL14577653 0.86 SLC7A5 (0.49) ATMCA12CA1CA2CA7
SCHEMBL12322614 0.86 KDM4E (0.51) ATMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947671-A Semi-rigid nitrogen-containing six-membered aromatic carboxylic acid ligand and preparation method thereof 四川轻化工大学 2023-10-27 CN claimed
CN-107540538-B Composition, reaction system and method for preparing 5-methyl isophthalic acid 黄石市利福达医药化工有限公司 2020-07-28 CN claimed
US-6653295-B2 Protease inhibitor; viricide BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US claimed
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-29 US claimed
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-04-03 US claimed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
WO-2024199063-A1 PHOSPHORUS OR SULFUR-CONTAINING MACROCYCLE AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 WO disclosed
US-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME AJINOMOTO CO., INC. (JP) 2024-04-11 US disclosed
US-11903895-B2 Compression garment apparatus KOYA MEDICAL, INC. (US) 2024-02-20 US disclosed
WO-2024024490-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM 日産化学株式会社 2024-02-01 WO disclosed
EP-4306535-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED USING SAME AJINOMOTO CO., INC. (JP) 2024-01-17 EP disclosed
WO-2023238920-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM TO REDUCE ENVIRONMENTAL IMPACT 日産化学株式会社 2023-12-14 WO disclosed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO disclosed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO disclosed
WO-2002040701-A2 ENERGY TRANSFER LABELS WITH MECHANICALLY LINKED FLUOROPHORES THE SCRIPPS RESEARCH INSTITUTE (US) 2002-05-23 WO disclosed
EP-0774457-A1 Substituted benzodicarboxylic acid diguanidines, process for their preparation, and their use as medicament or diagnostic agent HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 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-20240115719-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME IGLV6-57, SSB, FCGR3B ATM 3772/4885CA12 89/4885CA1 189/4885
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors PRSS1, SPINT2, SERPINB1 ATM 4010/4885CA12 4239/4885CA1 3646/4885
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease PRSS1, SERPINB1, SPINT2 ATM 4408/4885CA12 4025/4885CA1 3231/4885

“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.