SCHEMBL6085599

SCHEMBL6085599

CC(C)(C)C(=O)OCCCCCCC=CC1C(C/C=C\CCCC(=O)OCc2ccccc2)[C@H]2C[C@H]1C(=O)C(=O)C2=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
ELANE P08246 4/20 0.35
PTGFR P43088 4/20 0.35
ABCB11 O95342 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXA2R P21731 2/20 0.35
PTGER3 P43115 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGER4 P35408 1/20 0.34
AKR1C3 P42330 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
SCHEMBL6085993 0.89 PTGS1 (0.35) PTGS1PTGFRABCB11KDM4EMEN1
SCHEMBL6086811 0.88 PTGFR (0.37) PTGS1PTGFRABCB11KDM4EMEN1
SCHEMBL6086678 0.87 ALDH1A1 (0.40) ABCB11KDM4EMAPTTBXA2RPTGER3
SCHEMBL6085069 0.87 TBXA2R (0.39) PTGFRTBXA2RPTGER3PTGDRPTGER4
SCHEMBL8320452 0.83 PRKCA (0.30)
SCHEMBL6084704 0.74 ALDH1A1 (0.41) ABCB11KDM4EMAPTTBXA2RPTGER3
SCHEMBL6085363 0.73 TBXA2R (0.39) PTGFRMAPK1TBXA2RPTGER3PTGDR
SCHEMBL7099597 0.73 KDM4E (0.44) KDM4ETBXA2RPTGER3PTGDRPTGER4
SCHEMBL6085022 0.71 TBXA2R (0.41) PTGFRTBXA2RPTGER3PTGDRPTGER4
SCHEMBL6092808 0.69

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737185-B1 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF ALLERGAN INC (US) 1999-03-31 EP claimed
US-5416106-A Ocular hypotensive agents ALLERGAN, INC. (US) 1995-05-16 US claimed
US-7019149-B2 Thromboxane ligands without blood clotting side effects ALLERGAN, INC. (US) 2006-03-28 US disclosed
US-20050049300-A1 Thromboxane ligands without blood clotting side effects ALLERGAN SALES, INC. 2005-03-03 US disclosed
US-6818779-B2 TREATING OCULAR HYPOTENSION, HYPERTENSION, HEMORRHAGE, MYOCARDIAL ISCHEMIA, ANGINA PECTORIS, CORONARY CONTRACTION, CEREBROVASCULAR CONTRACTION AFTER SUBARACHNOIDAL HEMORRHAGE, CEREBRAL HEMORRHAGE AND ASTHMA WHICH COMPRISES ADMINISTERING ALLERGAN, INC. 2004-11-16 US disclosed
US-20030109571-A1 Thromboxane ligands without blood clotting side effects ALLERGAN SALES, INC. 2003-06-12 US disclosed
US-6462077-B1 OXABICYLCO COMPOUNDS; OCULAR HYPOTENSION, HYPERTENSION, HEMORRHAGE, MYOCARDIAL ISCHEMIA, ANGINA PECTORIS, CORONARY CONTRACTION, CEREBROVASCULAR CONTRACTION AFTER SUBARACH-NOIDAL HEMORRHAGE, CEREBRAL HEMORRHAGE, ASTHMA ALLERGAN, INC. 2002-10-08 US disclosed
WO-2000066577-A2 BRIGDED CYCLOALKANES AS THROMBOXANE LIGANDS WITHOUT BLOOD CLOTTING EFFECTS ALLERGAN SALES, INC. (US) 2000-11-09 WO disclosed
EP-0737185-B1 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF ALLERGAN INC (US) 1999-03-31 EP disclosed
US-5650431-A 3-OXO-2,4-DIOXABICYCLO(3.2.1)OCTANE DERIVATIVES ALLERGAN (US) 1997-07-22 US disclosed
EP-0737185-A1 7- CARBOXYALKYL OR ALKENYL]-6- ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO- 3.2.1] OCTANE AND DERIVATIVES THEREOF Allergan (US) 1996-10-16 EP disclosed
US-5516791-A VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES ALLERGAN (US) 1996-05-14 US disclosed
WO-1995018103-A1 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF ALLERGAN (US) 1995-07-06 WO disclosed
US-5416106-A Ocular hypotensive agents ALLERGAN, INC. (US) 1995-05-16 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 (2 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-20050049300-A1 Thromboxane ligands without blood clotting side effects OXER1, TBXA2R, OXTR PTGS1 25/4885ELANE 663/4885PTGFR 74/4885
US-20030109571-A1 Thromboxane ligands without blood clotting side effects OXER1, TBXA2R, CBR1 PTGS1 12/4885ELANE 666/4885PTGFR 84/4885

“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.