SCHEMBL146003

SCHEMBL146003

CCCCCCCN[C]=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 2/20 0.43
THRB P10828 1/20 0.42
CASP2 P42575 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
S1PR2 O95136 2/20 0.39
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL4621467 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL58362 1.00
SCHEMBL149027 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL11109100 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10873634 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL76962 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL148471 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10874788 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL9661841 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL305122 1.00 EPHX1 (0.48) EPHX1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US claimed
US-8039625-B2 Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-18 US claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2009-02-19 US claimed
US-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2008-09-18 US claimed
US-7163933-B2 Treating agent for Paget's disease of bone TEIJIN LIMITED (JP) 2007-01-16 US claimed
WO-2006093965-A2 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-08 WO claimed
WO-2005124453-A2 PERYLENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO claimed
US-20030191094-A1 Treating agent for Paget's disease of bone TEIJIN LIMITED 2003-10-09 US claimed
EP-1342796-A2 Compound for the treatment of paget's disease of bone TEIJIN LIMITED (JP) 2003-09-10 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0527049-B1 Quinophthalone compound MITSUI CHEMICALS INC (JP) 1998-12-23 EP claimed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP claimed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US claimed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US claimed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US claimed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP claimed

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-20080223444-A1 Perylene Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC43A1, SLC3A2, SLC16A3 EPHX1 2731/4885ADH1B 1391/4885ADH1C 2690/4885
US-20090044863-A1 CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF SLC18A3, CORO1C, SLC18A1 EPHX1 3018/4885ADH1B 1551/4885ADH1C 3577/4885
US-20030191094-A1 Treating agent for Paget's disease of bone SOST, COLGALT1, VDR EPHX1 1305/4885ADH1B 1628/4885ADH1C 4575/4885

“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.