SCHEMBL3699645

SCHEMBL3699645

CC/C=C\CCCCC#CCCCCC#CCCCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
EPHX2 P34913 1/20 0.49
NR1I2 O75469 2/20 0.47
PTGS2 P35354 2/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PDE4D Q08499 1/20 0.47
OXER1 Q8TDS5 3/20 0.46
LMNA P02545 2/20 0.45
ALOX5 P09917 2/20 0.45
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
MAPT P10636 2/20 0.42
CYP19A1 P11511 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5934155 0.86 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL7192944 0.86 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL503881 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL816605 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL14672912 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL23700183 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL23700182 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL14672913 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL2533002 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL17365707 0.84 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4ALOX15HSD17B10

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 18 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
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-20160326128-A1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (DE) 2016-11-10 US 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-9272991-B2 Eicosanoid derivatives MAX-DELBRUECK-CENTRUM FUER MOLEKULARE MEDIZIN (MDC) (DE) 2016-03-01 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
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

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 ALDH1A1 646/4885TSHR 2914/4885CYP3A4 419/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 ALDH1A1 708/4885TSHR 2512/4885CYP3A4 539/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 ALDH1A1 708/4885TSHR 2512/4885CYP3A4 539/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 ALDH1A1 710/4885TSHR 2868/4885CYP3A4 506/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 ALDH1A1 710/4885TSHR 2868/4885CYP3A4 506/4885

“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.