SCHEMBL209828

SCHEMBL209828

Cl[C]1CCCC2CCCCC12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33

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
SCHEMBL7515864 0.72 ALDH1A1 (0.39) ALDH1A1NOS1NOS2NOS3
SCHEMBL8717953 0.69 ALDH1A1 (0.30) ALDH1A1NOS1NOS2NOS3
SCHEMBL4064825 0.68 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL895510 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3
SCHEMBL6593076 0.68 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL120444 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3
SCHEMBL12333841 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3
SCHEMBL10476883 0.68 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL22397285 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3
SCHEMBL19733321 0.68 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY UNIV LELAND STANFORD JUNIOR (US) 2024-07-18 US disclosed
EP-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed
WO-2023081261-A1 TUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-05-11 WO disclosed
US-20210196716-A1 COMPOSITIONS AND METHODS FOR TREATING EYE DISORDERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-07-01 US disclosed
EP-3697354-A1 COMPOSITIONS AND METHODS FOR TREATING EYE DISORDERS The Regents of The University of Michigan (US) 2020-08-26 EP disclosed
US-10675364-B2 Rhodol fluorophores for near-infrared imaging THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-09 US disclosed
US-10570150-B2 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-02-25 US disclosed
US-10441588-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-10-15 US disclosed
EP-2844258-B1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION UNIV MICHIGAN REGENTS (US) 2019-09-11 EP disclosed
EP-2063894-B1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS FOR TREATING NEUROINFLAMMATORY DISEASES UNIV NORTHWESTERN (US) 2019-08-28 EP disclosed
US-20050113460-A1 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-05-26 US disclosed
WO-2005034943-A1 INDOLE ANTIVIRAL COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-04-21 WO disclosed
US-20050026910-A1 Benzimidazole derivatives for use as therapeutic agents to treat a number of conditions associated with retroviral infection; HIV-1 treatment THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-02-03 US disclosed
WO-2005004988-A2 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-01-20 WO disclosed
US-20040241781-A1 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2004-12-02 US disclosed
US-20040220180-A1 Compositions relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-11-04 US disclosed
US-20040176358-A1 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-09-09 US disclosed
EP-1423122-A2 COMPOSITIONS AND METHODS RELATING TO NOVEL BENZODIAZEPINE COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2004-06-02 EP disclosed
US-20030119029-A1 Compositions and methods relating to novel benzodiazepine compounds and targets thereof REGENTS OF THE UNIVERSITY OF MICHIGAN 2003-06-26 US disclosed
WO-2003015703-A2 COMPOSITIONS AND METHODS RELATING TO NOVEL BENZODIAZEPINE COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2003-02-27 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 (11 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-10570150-B2 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase CMBL, MGAM, GUSB ALDH1A1 1338/4885NOS1 3979/4885NOS2 4207/4885
US-20050026910-A1 Benzimidazole derivatives for use as therapeutic agents to treat a number of conditions associated with retroviral infection; HIV-1 treatment ABAT, MAVS, ZC3HAV1 ALDH1A1 162/4885NOS1 2525/4885NOS2 2506/4885
US-20050113460-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 ALDH1A1 2634/4885NOS1 1897/4885NOS2 1603/4885
US-10441588-B2 Methods and compositions for treating bacterial infection MMP8, CUTA, ELANE ALDH1A1 2604/4885NOS1 430/4885NOS2 225/4885
US-20030119029-A1 Compositions and methods relating to novel benzodiazepine compounds and targets thereof GABRB1, GABRB3, GABRB2 ALDH1A1 2307/4885NOS1 2343/4885NOS2 2095/4885
US-20210196716-A1 COMPOSITIONS AND METHODS FOR TREATING EYE DISORDERS CRYAB, PDE6C, PDE6D ALDH1A1 1761/4885NOS1 1513/4885NOS2 1315/4885
US-20040220180-A1 Compositions relating to novel compounds and targets thereof BAX, BAD, GABRB1 ALDH1A1 2873/4885NOS1 2228/4885NOS2 1963/4885
US-20040241781-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 ALDH1A1 2634/4885NOS1 1897/4885NOS2 1603/4885
US-20040176358-A1 Compositions and methods relating to novel compounds and targets thereof BAX, BAD, GABRB3 ALDH1A1 2634/4885NOS1 1897/4885NOS2 1603/4885
US-20240240226-A1 FLUOROGENIC ASSAY FOR RAPID SCREENING OF BACTERIAL BETA-LACTAMASE ACTIVITY CDA, CMBL, CTSF ALDH1A1 203/4885NOS1 1622/4885NOS2 1793/4885
US-10675364-B2 Rhodol fluorophores for near-infrared imaging ALDH1A2, DNER, DBNL ALDH1A1 14/4885NOS1 216/4885NOS2 154/4885

“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.