SCHEMBL670619

SCHEMBL670619

NCC(N)C1CCCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.42
SHBG P04278 1/20 0.40

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
SCHEMBL8070691 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Cyclohexane SCHEMBL2492289 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL671850 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL21656667 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5700121 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL672135 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL8201526 0.97 EPHX1 (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4609721 0.97
SCHEMBL15531073 0.92
Hydrochloric Acid SCHEMBL30866173 0.89 KDM4E (0.46) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8845886-B2 Functionalized filters for heavy oil upgrading EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-30 US claimed
US-20120298558-A1 FUNCTIONALIZED FILTERS FOR HEAVY OIL UPGRADING EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-11-29 US claimed
WO-2012162046-A2 FUNCTIONALIZED FILTERS FOR HEAVY OIL UPGRADING EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-11-29 WO claimed
US-20080138537-A1 Low color polyimide compositions useful in optical type applications and methods and compositions relating thereto U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2008-06-12 US claimed
EP-1749850-A1 Low color polyimide compositions useful in optical type applications and methods and compositions related thereto E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-02-07 EP claimed
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
US-20150361264-A1 LIGHT EMITTING DIODE ASSEMBLY AND THERMAL CONTROL BLANKET AND METHODS RELATING THERETO DU PONT (US) 2015-12-17 US disclosed
WO-2015192037-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BUSATH DAVID D (US) 2015-12-17 WO disclosed
US-8969909-B2 Light emitting diode assembly and thermal control blanket and methods relating thereto E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-03 US disclosed
US-8853723-B2 Light emitting diode assembly and thermal control blanket and methods relating thereto E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-07 US disclosed
US-8845886-B2 Functionalized filters for heavy oil upgrading EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-09-30 US disclosed
US-20130126940-A1 LIGHT EMITTING DIODE ASSEMBLY AND THERMAL CONTROL BLANKET AND METHODS RELATING THERETO E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
EP-1858948-A2 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS WITH IMPROVED POTLIFE E.I.Du pont de nemours and company (US) 2007-11-28 EP disclosed
US-20070066734-A1 Polycyclic polyimides and compositions and methods relating thereto U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2007-03-22 US disclosed
EP-1764381-A1 Polycyclic polyimides and compositions and their corresponding polyamic acids E.I.Du pont de nemours and company (US) 2007-03-21 EP disclosed
EP-1749850-A1 Low color polyimide compositions useful in optical type applications and methods and compositions related thereto E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-02-07 EP disclosed
WO-2006076724-A2 DURABLE COATING COMPOSITIONS CONTAINING ASPARTIC AMINE COMPOUNDS WITH IMPROVED POTLIFE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-20 WO disclosed
US-20060155055-A1 Durable coating compositions containing aspartic amine compounds with improved potlife E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-13 US disclosed
EP-1513825-A2 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Department of Health and Human Services (US) 2005-03-16 EP disclosed
WO-2003096989-A2 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-11-27 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 (1 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 EPHX1 4773/4885TP53 283/4885KDM4E 3591/4885

“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.