SCHEMBL852472

SCHEMBL852472

CNc1cccc(CCO)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
PDE10A Q9Y233 1/20 0.48
HSD11B1 P28845 1/20 0.44
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
ITGB3 P05106 8/20 0.41
ITGAV P06756 8/20 0.41
ITGB6 P18564 1/20 0.41
ITGB1 P05556 6/20 0.40
ITGA5 P08648 6/20 0.40
ITGB5 P18084 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCF1 P14598 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL20971411 0.84 APP (0.47) APPPDE10AHSD11B1KCNH2SCN5A
SCHEMBL7797589 0.82 APP (0.54) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL13626475 0.81 HSD11B1 (0.42) APPPDE10AHSD11B1KCNH2NPSR1
SCHEMBL7040754 0.81 KCNH2 (0.46) APPHSD11B1KCNH2SCN5ANPSR1
SCHEMBL6220219 0.81 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL1815740 0.81 APP (0.53) APPPDE10AKCNH2SCN5AITGB3
SCHEMBL23455586 0.79 ITGB3 (0.54) APPPDE10AITGB3ITGAVITGB6
SCHEMBL30073942 0.79 ITGB3 (0.54) APPPDE10AITGB3ITGAVITGB6
SCHEMBL4273309 0.79 KCNH2 (0.52) HSD11B1KCNH2NPSR1
SCHEMBL30336032 0.78 APP (0.55) APPPDE10AKCNH2SCN5AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 US disclosed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
WO-2015013715-A2 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE THR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 WO disclosed
WO-2015013715-A2 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE THR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 WO disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (2 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-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE AFF2, INF2, NPFFR2 APP 2818/4885PDE10A 4438/4885HSD11B1 3763/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 APP 4034/4885PDE10A 4639/4885HSD11B1 4853/4885

“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.