SCHEMBL14697003

SCHEMBL14697003

O=c1c(O)c(-c2ccc(N3CCCC3)cc2)oc2c1ccc1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 0.69
▸ ABCB1 P08183 1/20 0.56
▸ PRKDC P78527 3/20 0.50
▸ CYP1A1 P04798 2/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ ABCC1 P33527 2/20 0.46
▸ CDK2 P24941 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FTO Q9C0B1 1/20 0.43

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
SCHEMBL14697040 0.84 ABCG2 (0.60) ABCG2ABCB1PRKDCABCC1CDK2
SCHEMBL17292888 0.82 ABCG2 (1.00) ABCG2ABCB1PRKDCCYP1A1CYP1B1
SCHEMBL21668590 0.82 CDK2 (0.54) ABCG2CDK2MEN1ALDH1A1HPGD
SCHEMBL14697050 0.80 ABCG2 (0.73) ABCG2ABCB1PRKDCABCC1CDK2
SCHEMBL21668603 0.77 ABCG2 (0.49) ABCG2ABCB1CYP1A1CYP1B1CDK2
SCHEMBL14710089 0.77 ABCG2 (0.74) ABCG2ABCB1PRKDCCYP1A1CYP1B1
SCHEMBL14696954 0.77 ABCG2 (0.74) ABCG2ABCB1PRKDCCYP1A1CYP1B1
SCHEMBL14697063 0.77 ABCG2 (0.73) ABCG2ABCB1ABCC1CDK2MEN1
SCHEMBL23473389 0.76 CDK2 (0.44) ABCG2ABCB1CDK2MEN1USP2
SCHEMBL14696896 0.76 CYP1A1 (0.81) ABCG2ABCB1PRKDCCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-07-21 — — US claimed
US-20140186329-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-03 — — US claimed
US-20140186328-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-07-03 — — US claimed
EP-2741609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS Salk Institute for Biological Studies (US) 2014-06-18 — — EP claimed
WO-2013025484-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA LAPCHAK PAUL A (US) 2013-02-21 — — WO claimed
WO-2013025498-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SCHUBERT DAVID R (US) 2013-02-21 — — WO claimed
US-9744164-B2 Neuroprotective polyphenol analogs SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-29 — — US disclosed
US-9744164-B2 Neuroprotective polyphenol analogs SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-29 — — US disclosed
US-9744164-B2 Neuroprotective polyphenol analogs SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-29 — — US disclosed
US-20160206609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-07-21 — — US disclosed
US-20160206609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-07-21 — — US disclosed
US-20160206609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-07-21 — — US disclosed
US-20140186329-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-03 — — US disclosed
US-20140186329-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-03 — — US disclosed
US-20140186329-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-03 — — US disclosed
EP-2741609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS Salk Institute for Biological Studies (US) 2014-06-18 — — EP disclosed
WO-2013025484-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA LAPCHAK PAUL A (US) 2013-02-21 — — WO disclosed
WO-2013025484-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA LAPCHAK PAUL A (US) 2013-02-21 — — WO disclosed
WO-2013025498-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SCHUBERT DAVID R (US) 2013-02-21 — — WO disclosed
WO-2013025498-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS SCHUBERT DAVID R (US) 2013-02-21 — — 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-20140186329-A1 POLYPHENOL ANALOGS TO TREAT ISCHEMIA GPX1, KEAP1, GPX4 ABCG2 4578/4885ABCB1 4736/4885PRKDC 4142/4885
US-20140186328-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS GSR, IAPP, GCLC ABCG2 1504/4885ABCB1 2707/4885PRKDC 3861/4885
US-20160206609-A1 NEUROPROTECTIVE POLYPHENOL ANALOGS GSR, IAPP, GCLC ABCG2 1504/4885ABCB1 2707/4885PRKDC 3861/4885

“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.

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