SCHEMBL6085993

SCHEMBL6085993

CC(C)(C)[Si](C)(C)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 0.35
PTGFR P43088 5/20 0.34
PTGER3 P43115 3/20 0.34
ABCB11 O95342 2/20 0.34
PTGER4 P35408 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TBXA2R P21731 3/20 0.34
AKR1C3 P42330 1/20 0.34
PTGER1 P34995 2/20 0.33
PTGDR Q13258 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
SCHEMBL6085599 0.89 PTGS1 (0.38) PTGS1PTGFRPTGER3ABCB11PTGER4
SCHEMBL6084704 0.87 ALDH1A1 (0.41) PTGER3ABCB11PTGER4KDM4EMAPT
SCHEMBL6085363 0.86 TBXA2R (0.39) PTGFRPTGER3PTGER4MAPK1TBXA2R
SCHEMBL6086811 0.86 PTGFR (0.37) PTGS1PTGFRPTGER3ABCB11PTGER4
SCHEMBL6092808 0.82
SCHEMBL21959487 0.78 ALDH1A1 (0.37) MAPK1
SCHEMBL6086678 0.75 ALDH1A1 (0.40) PTGER3ABCB11PTGER4KDM4EMAPT
SCHEMBL6085069 0.75 TBXA2R (0.39) PTGFRPTGER3PTGER4TBXA2RPTGER1
SCHEMBL7308118 0.72 ALDH1A1 (0.46) KDM4EMEN1MAPK1KMT2A
SCHEMBL7099597 0.72 KDM4E (0.44) PTGER3PTGER4KDM4ETBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5516791-A VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES ALLERGAN (US) 1996-05-14 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 (1 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 25/4885PTGFR 74/4885PTGER3 105/4885

“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.