SCHEMBL2506509

SCHEMBL2506509

CC[C@H]1OC1CCCCC#CCCCCCCCCCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PTPN7 P35236 3/20 0.38
HMGCR P04035 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGER3 P43115 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
RECQL P46063 1/20 0.36
CTSK P43235 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL7032690 1.00 TSHR (0.39) TSHRPTPN7HMGCRTDP1PTGER3
SCHEMBL3703469 1.00 TSHR (0.39) TSHRPTPN7HMGCRTDP1PTGER3
SCHEMBL2482113 0.97 TSHR (0.41) TSHRPTPN7HMGCRTDP1PTGER3
SCHEMBL2481579 0.91 TSHR (0.47) TSHRTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL20577392 0.91 TSHR (0.47) TSHRTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL3702598 0.89 PTGER3 (0.40) TSHRPTPN7HMGCRTDP1PTGER3
SCHEMBL2481165 0.87 PTGER3 (0.40) TSHRPTPN7HMGCRTDP1PTGER3
SCHEMBL3125935 0.87 TSHR (0.42) TSHRTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL19418777 0.87 PTGER3 (0.46) PTPN7HMGCRTDP1PTGER3ALDH1A1
SCHEMBL15058855 0.84 TSHR (0.54) TSHRTDP1ALDH1A1LMNAL3MBTL1

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 10 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-2376432-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2011-10-19 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 TSHR 2914/4885PTPN7 4686/4885HMGCR 1017/4885
US-10287262-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 TSHR 2512/4885PTPN7 4527/4885HMGCR 1204/4885
US-11365183-B2 Eicosanoid derivatives FABP3, PTGER3, PTGES3 TSHR 2512/4885PTPN7 4527/4885HMGCR 1204/4885
US-20160326128-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 TSHR 2868/4885PTPN7 4638/4885HMGCR 1172/4885
US-20190315701-A1 NOVEL EICOSANOID DERIVATIVES FABP3, PTGER3, PTGES3 TSHR 2868/4885PTPN7 4638/4885HMGCR 1172/4885

“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.