SCHEMBL3702598

SCHEMBL3702598

CCC1OC1CC#CCCCCC#CCCCCCCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.40
TSHR P16473 2/20 0.39
PTPN7 P35236 4/20 0.38
HMGCR P04035 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 2/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL2481165 0.99 PTGER3 (0.40) PTGER3TSHRPTPN7HMGCRALDH1A1
SCHEMBL7032690 0.89 TSHR (0.39) PTGER3TSHRPTPN7HMGCRALDH1A1
SCHEMBL2506509 0.89 TSHR (0.39) PTGER3TSHRPTPN7HMGCRALDH1A1
SCHEMBL3703469 0.89 TSHR (0.39) PTGER3TSHRPTPN7HMGCRALDH1A1
SCHEMBL19418777 0.87 PTGER3 (0.46) PTGER3PTPN7HMGCRALDH1A1EPHX2
SCHEMBL2482113 0.85 TSHR (0.41) PTGER3TSHRPTPN7HMGCRALDH1A1
SCHEMBL18724796 0.81 RECQL (0.30) RECQLTDP1
SCHEMBL2481579 0.79 TSHR (0.47) TSHRALDH1A1LMNAEPHX2TDP1
SCHEMBL20577392 0.79 TSHR (0.47) TSHRALDH1A1LMNAEPHX2TDP1
SCHEMBL3129143 0.76 PTPN7 (0.63) TSHRPTPN7HMGCRALDH1A1LMNA

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 PTGER3 2/4885TSHR 2914/4885PTPN7 4686/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 PTGER3 2/4885TSHR 2512/4885PTPN7 4527/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 PTGER3 2/4885TSHR 2512/4885PTPN7 4527/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 PTGER3 2/4885TSHR 2868/4885PTPN7 4638/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 PTGER3 2/4885TSHR 2868/4885PTPN7 4638/4885

“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.