SCHEMBL329135

SCHEMBL329135

CC(C)C(O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LTA4H P09960 1/20 0.52
LAP3 P28838 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSB P07858 1/20 0.49
SLC15A1 P46059 1/20 0.48
LMNA P02545 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
ELANE P08246 1/20 0.47
ATM Q13315 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 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
SCHEMBL3913952 1.00 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL11821568 1.00 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL23342987 0.89 ALDH1A1 (0.55) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL23342972 0.89 ALDH1A1 (0.55) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL21843047 0.89 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL17384657 0.89 ALDH1A1 (0.58) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL14066236 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL366832 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL1600361 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1
SCHEMBL6575848 0.88 ALDH1A1 (0.61) ALDH1A1LTA4HLAP3TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227310-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE THEREOF Sichuan Baili Pharmaceutical Co. Ltd. (CN) 2023-08-16 EP disclosed
CN-108473499-B Novel pyrazolopyrimidine derivatives 诺华股份有限公司 2021-07-23 CN disclosed
CN-106170489-B New Pyrazolopyrimidine derivative and its purposes as MALT1 inhibitor 诺华股份有限公司 2019-05-03 CN disclosed
EP-2407447-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-04-18 EP disclosed
CN-106170489-A New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof 诺华股份有限公司 2016-11-30 CN disclosed
US-8552215-B2 Method for producing optically active 2-hydroxy ester and novel intermediate compound TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2013-10-08 US disclosed
US-8357662-B2 Surface-based ammonium ion sensor and methods of making thereof WORCESTER POLYTECHNIC INSTITUTE (US) 2013-01-22 US disclosed
EP-2407447-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2012-01-18 EP disclosed
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-12-29 US disclosed
US-20100290951-A1 SURFACE-BASED AMMONIUM ION SENSOR: AN ELECTRODE DERIVATIZED WITH A SELF-ASSEMBLED MONOLAYER WORCESTER POLYTECHNIC INSITUTE (US) 2010-11-18 US disclosed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US disclosed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 WO disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0721945-B1 BENZOLACTAM DERIVATIVE SHIONOGI & CO (JP) 1999-02-24 EP disclosed
US-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed
US-5652232-A VIRICIDES, TREATMENT OF RETROVIRUS INFECTIOUS DISEASE; AIDS SHIONOGI & CO., LTD. (JP) 1997-07-29 US disclosed
EP-0721945-A1 BENZOLACTAM DERIVATIVE SHIONOGI & CO., LTD. (JP) 1996-07-17 EP disclosed
WO-1996011927-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-04-25 WO disclosed
US-5232624-A Components of tilted smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 ALDH1A1 1692/4885LTA4H 1378/4885LAP3 1086/4885
US-20100290951-A1 SURFACE-BASED AMMONIUM ION SENSOR: AN ELECTRODE DERIVATIZED WITH A SELF-ASSEMBLED MONOLAYER DNMT3A, ACMSD, CD4 ALDH1A1 2016/4885LTA4H 4779/4885LAP3 2426/4885
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND CA7, HAO2, HACL2 ALDH1A1 239/4885LTA4H 106/4885LAP3 650/4885

“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.