SCHEMBL3713004

SCHEMBL3713004

COC(=O)CCCCCCCCC/C=C\CCCC(=O)C=[N+]=[N-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 2/20 0.50
LMNA P02545 1/20 0.50
ALOX5 P09917 2/20 0.46
OXER1 Q8TDS5 1/20 0.46
TSHR P16473 2/20 0.41
CNR2 P34972 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DEGS1 O15121 1/20 0.40
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
RECQL P46063 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL11089988 0.85 TSHR (0.58) FAAHALDH1A1LMNAALOX5OXER1
SCHEMBL12886463 0.83 ALDH1A1 (0.68) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL1524543 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL810916 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL15757659 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL24080350 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL6055455 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL13273157 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL15757660 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1
SCHEMBL6569696 0.82 ALDH1A1 (0.70) ALDH1A1EPHX2LMNAALOX5OXER1

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 9 patents. 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-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
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
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US disclosed
US-9272991-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2016-03-01 US disclosed
US-20120122972-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2012-05-17 US disclosed
EP-2208720-A1 Novel eicosanoid derivatives Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2010-07-21 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 (5 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-20120122972-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 FAAH 395/4885ALDH1A1 646/4885EPHX2 486/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 FAAH 403/4885ALDH1A1 708/4885EPHX2 500/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 FAAH 403/4885ALDH1A1 708/4885EPHX2 500/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 FAAH 384/4885ALDH1A1 710/4885EPHX2 559/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 FAAH 384/4885ALDH1A1 710/4885EPHX2 559/4885

“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.