SCHEMBL7495338

SCHEMBL7495338

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
CA1 P00915 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL7495332 1.00 ALDH1A1 (0.53) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL23008679 0.83 ALDH1A1 (0.53) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL7501734 0.83 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10069694 0.82 ALDH1A1 (0.51) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL10705317 0.82 ALDH1A1 (0.51) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL6477877 0.82 ALDH1A1 (0.51) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL28732907 0.82 ALDH1A1 (0.51) ALDH1A1CTSBCTSSCTSLTDP1
SCHEMBL5768186 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14383565 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL3824193 0.81 ALDH1A1 (0.50) ALDH1A1CTSBCTSSCTSLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164513-B Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders 拜耳制药股份公司 2021-05-07 CN disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 EP disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 EP disclosed
US-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 US disclosed
US-9434690-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-06 US disclosed
US-9434690-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-06 US disclosed
US-20160052884-A1 Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2978756-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-02-03 EP disclosed
WO-2014154794-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 WO disclosed
WO-2014154794-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 WO disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 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-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders OGFOD1, VASP, PNPO ALDH1A1 1195/4885CTSB 3733/4885CTSS 4298/4885
US-20160052884-A1 Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders OGFOD1, PNPO, VASP ALDH1A1 1492/4885CTSB 3863/4885CTSS 4385/4885
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP ALDH1A1 1492/4885CTSB 3863/4885CTSS 4385/4885

“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.