SCHEMBL3366405

SCHEMBL3366405

CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 13/20 1.00
PTGER3 P43115 6/20 1.00
TBXA2R P21731 4/20 1.00
PTGER1 P34995 4/20 1.00
ALDH1A1 P00352 3/20 0.71
LMNA P02545 3/20 0.71
PTGER4 P35408 1/20 0.71
PTGDR Q13258 1/20 0.71
SLCO2A1 Q92959 1/20 0.71
HPGD P15428 2/20 0.65
ABCC4 O15439 1/20 0.65
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
KDM4E B2RXH2 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
MEN1 O00255 1/20 0.52

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
SCHEMBL11484121 1.00 PTGFR (1.00) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10626386 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10882717 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL1554648 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL10882711 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9744927 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9721770 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL436204 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
Nocloprost SCHEMBL1554645 0.91 PTGER3 (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1
SCHEMBL9721774 0.91 TBXA2R (0.84) PTGFRPTGER3TBXA2RPTGER1ALDH1A1

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
EP-2349242-B1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS INC (US) 2018-12-05 EP disclosed
US-8722739-B2 Amino acid salts of prostaglandins NOVAER HOLDINGS, INC. (US) 2014-05-13 US disclosed
US-20140031423-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. (US) 2014-01-30 US disclosed
US-8623918-B2 Amino acid salts of prostaglandins NOVAER HOLDINGS, INC. (US) 2014-01-07 US disclosed
US-8470882-B2 2013-06-25 US disclosed
US-20100105771-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. 2010-04-29 US disclosed
US-20100105775-A1 AMINO ACID SALTS OF PROSTAGLANDINS NOVAER HOLDINGS, INC. 2010-04-29 US disclosed
US-4256745-A OXYTOCICS; DURABILITY SCHERING AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4159343-A ABORTIFICANTS, LABOR INDUCTION, MENSTRUAL CYCLE REGULATION SCHERING AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4105792-A OXYTOCICS, ABORTION INDUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1978-08-08 US 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 (3 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-20100105771-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR PTGFR 7/4885PTGER3 16/4885TBXA2R 22/4885
US-20100105775-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR PTGFR 7/4885PTGER3 16/4885TBXA2R 22/4885
US-20140031423-A1 AMINO ACID SALTS OF PROSTAGLANDINS PTGIS, PTGES, PTGIR PTGFR 7/4885PTGER3 16/4885TBXA2R 22/4885

“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.