SCHEMBL1258296

SCHEMBL1258296

Cc1cc(C=CC(=O)O)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 3/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA3 P07451 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
CA5A P35218 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
CA5B Q9Y2D0 3/20 0.53
ALDH1A1 P00352 3/20 0.53
AKR1B10 O60218 3/20 0.53
AKR1B1 P15121 3/20 0.53
HPGD P15428 2/20 0.53
DPP4 P27487 2/20 0.53
THRB P10828 2/20 0.53

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
SCHEMBL1258295 1.00 KDM4E (0.53) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL30842600 0.86 GABBR2 (0.44) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL584807 0.86 GPR183 (0.53) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL584806 0.86 GPR183 (0.53) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL22046680 0.84 MAOA (0.43) CYP3A4BACE1CYP2C9
SCHEMBL407484 0.83 KDM4E (0.58) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL111230 0.83 KDM4E (0.58) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL407485 0.83 KDM4E (0.58) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL584596 0.83 KDM4E (0.58) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL29389045 0.83 KDM4E (0.58) KDM4EHSD17B10MAPK1CA12CA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017646-B2 e.g. 1-{3-[3-(3,4-dimethoxyphenyl)propoxy]propyl}pyrrolidine; neurodegenerative disorders, antidepressant, antidiabetic, hypotensive agent, cognition activator; BIOPROJET (FR) 2011-09-13 US disclosed
US-7879911-B2 2-(4-Fluorophenoxy-N-hydroxyacetamide where the \"oxy\" can also be sulfonyl, sulfamyl or sulfinyl; enzyme inhibitors of the \"lethal factor\" enzyme released by bacillus anthraci that splits an essential peptide needed by mammals for signal transmission; antidotes; biological warfare NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-01 US disclosed
WO-2009008905-A1 HYDROXAMIC ACID DERIVATIVES OF PHENOXY-ACETIC ACIDS AND ANALOGS USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. 2009-01-15 WO disclosed
US-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2008-08-07 US disclosed
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application BIOPROJET (FR) 2008-07-31 US disclosed
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP disclosed
EP-0560080-B1 Electrophotographic toner HODOGAYA CHEMICAL CO LTD (JP) 1998-01-14 EP disclosed
US-5346794-A Arylacrylic acid HODOGAYA CHEMICAL CO., LTD. (JP) 1994-09-13 US disclosed
EP-0560080-A1 Electrophotographic toner HODOGAYA CHEMICAL CO., LTD. (JP) 1993-09-15 EP 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-20080188565-A1 Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning ANTXR2, HAAO, PAOX KDM4E 1261/4885HSD17B10 461/4885MAPK1 1069/4885
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application HRH3, HRH4, HRH1 KDM4E 1619/4885HSD17B10 2176/4885MAPK1 1466/4885

“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.