SCHEMBL3689996

SCHEMBL3689996

CCC1OC1CCCC/C=C\CCCCCCCCCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 1/20 0.42
ALOX5 P09917 3/20 0.41
OXER1 Q8TDS5 1/20 0.41

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
SCHEMBL3698504 1.00 EPHX2 (0.51) EPHX2ALDH1A1LMNATSHRCYP3A4
SCHEMBL3707665 1.00 EPHX2 (0.51) EPHX2ALDH1A1LMNATSHRCYP3A4
SCHEMBL13284465 1.00 EPHX2 (0.51) EPHX2ALDH1A1LMNATSHRCYP3A4
SCHEMBL3700300 0.97 EPHX2 (0.48) EPHX2ALDH1A1LMNATSHRCYP3A4
SCHEMBL3699755 0.96 EPHX2 (0.46) EPHX2ALDH1A1LMNATSHRTDP1
SCHEMBL23310438 0.91 TSHR (0.47) EPHX2ALDH1A1LMNATSHRTDP1
SCHEMBL2481579 0.91 TSHR (0.47) EPHX2ALDH1A1LMNATSHRTDP1
SCHEMBL20577392 0.91 TSHR (0.47) EPHX2ALDH1A1LMNATSHRTDP1
SCHEMBL3702735 0.89 EPHX2 (0.51) EPHX2ALDH1A1LMNATSHRCYP3A4
SCHEMBL3697602 0.89 EPHX2 (0.51) EPHX2ALDH1A1LMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365183-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2022-06-21 US disclosed
US-11365183-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2022-06-21 US disclosed
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-10-17 US disclosed
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-10-17 US disclosed
US-10287262-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-05-14 US disclosed
US-10287262-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2019-05-14 US disclosed
EP-3222612-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2017-09-27 EP disclosed
EP-2376432-B1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2017-04-12 EP disclosed
EP-2376432-B1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2017-04-12 EP disclosed
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
WO-2010081683-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2010-07-22 WO disclosed
EP-2208720-A1 Novel eicosanoid derivatives Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2010-07-21 EP disclosed
EP-2208720-A1 Novel eicosanoid derivatives Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2010-07-21 EP disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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 (7 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 EPHX2 1834/4885ALDH1A1 1337/4885LMNA 1511/4885
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 EPHX2 486/4885ALDH1A1 646/4885LMNA 741/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 EPHX2 500/4885ALDH1A1 708/4885LMNA 722/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 EPHX2 500/4885ALDH1A1 708/4885LMNA 722/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 EPHX2 1834/4885ALDH1A1 1337/4885LMNA 1511/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 EPHX2 559/4885ALDH1A1 710/4885LMNA 730/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 EPHX2 559/4885ALDH1A1 710/4885LMNA 730/4885

“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.