SCHEMBL6084704

SCHEMBL6084704

COC(=O)CCC/C=C\CC1C(C=CCCCCCCO[Si](C)(C)C(C)(C)C)[C@H]2C[C@H]1C(=O)C(=O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PTGER2 P43116 2/20 0.37
EPHX2 P34913 2/20 0.36
PTGER4 P35408 4/20 0.36
PTGER3 P43115 3/20 0.36
PDE4D Q08499 6/20 0.36
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCC4 O15439 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
SCHEMBL6085363 0.91 TBXA2R (0.39) ALDH1A1PTGER2PTGER4PTGER3PDE4D
SCHEMBL6092808 0.88
SCHEMBL6085993 0.87 PTGS1 (0.35) KDM4EPTGER4PTGER3TBXA2RPTGDR
SCHEMBL6086678 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7099597 0.84 KDM4E (0.44) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6085069 0.77 TBXA2R (0.39) ALDH1A1PTGER2EPHX2PTGER4PTGER3
SCHEMBL15385466 0.75 ALOX5 (0.44) ALDH1A1TDP1EPHX2PDE4DLMNA
SCHEMBL8903251 0.74 PDE4D (0.51) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8901601 0.74 PDE4D (0.51) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8901597 0.74 PDE4D (0.51) ALDH1A1KDM4EHKDC1TDP1SAE1

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 ALDH1A1 1904/4885KDM4E 4042/4885HKDC1 4001/4885

“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.