SCHEMBL66872

SCHEMBL66872

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.59
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC8 Q9BY41 2/20 0.49
PTPN1 P18031 3/20 0.49
CHEK1 O14757 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL29707284 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL66871 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL29401053 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL14067913 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL2080858 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL6240970 0.87 PTPN1 (0.48) ACEHDAC8PTPN1
SCHEMBL1791198 0.87 UCHL1 (0.48) ACEPOLBTDP1
SCHEMBL26748805 0.87 ACE (0.57) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL21490343 0.86 PTPN1 (0.65) HDAC8PTPN1
SCHEMBL29443079 0.86 PTPN1 (0.65) HDAC8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145797-B [(3s)-1,2,3,4-tetrahydroisoquinoline-3-formoxy]-Lys modified RGD tetrapeptide and its synthesis method and use in medical science UNIV CAPITAL MEDICAL SCIENCES 2015-05-20 CN claimed
CN-103145797-A [(3s)-1,2,3,4-tetrahydroisoquinoline-3-formoxy]-Lys modified RGD tetrapeptide and its synthesis method and use in medical science UNIV CAPITAL MEDICAL 2013-06-12 CN claimed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US claimed
EP-3706747-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
WO-2024110758-A2 NATURAL KILLER CELLS NK:IO Ltd (GB) 2024-05-30 WO disclosed
CN-114728938-B Tetrahydroisoquinoline spiro compounds as PRMT5 inhibitors 南京再明医药有限公司 2024-05-24 CN disclosed
US-11952365-B2 Anti-viral compounds ALIGOS THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 CN disclosed
EP-4304588-A1 COMPOUNDS HAVING TETRAHYDROINDOLIZINE-1-CARBOXAMIDE AS BCL-2 INHIBITORS Eil Therapeutics, Inc. (US) 2024-01-17 EP disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP disclosed
WO-1994005310-A1 PEPTIDE INHIBITORS OF CELLULAR ADHESION CENTOCOR, INC. (US) 1994-03-17 WO disclosed
CN-1071930-A Inhibitor as the human immunodeficiency virus protease who treats acquired immune deficiency syndrome (AIDS) LILLY CO ELI (US) 1993-05-12 CN disclosed
EP-0526009-A1 Inhibitors of hiv protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1993-02-03 EP disclosed
EP-0504064-A1 Novel thrombin inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-09-16 EP disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
US-5047400-A Treatment of infection; antitumor agents ADIR ET CIE (FR) 1991-09-10 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP 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-11952365-B2 Anti-viral compounds EIF2AK2, ZC3HAV1, HAVCR2 ACE 7/4885POLB 356/4885TDP1 2526/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A ACE 1000/4885POLB 4132/4885TDP1 3611/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 ACE 4001/4885POLB 3645/4885TDP1 1322/4885

“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.