SCHEMBL2490724

SCHEMBL2490724

CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccc(C)cc2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.46
TBXAS1 P24557 3/20 0.42
SLC6A3 Q01959 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGFR P43088 1/20 0.37
KMT2A Q03164 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36

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
Seratrodast SCHEMBL98403 0.90 TBXAS1 (0.52) TBXA2RTBXAS1
SCHEMBL9308117 0.90 TBXAS1 (0.52) TBXA2RTBXAS1
Seratrodast SCHEMBL98402 0.90 TBXAS1 (0.52) TBXA2RTBXAS1
SCHEMBL2458688 0.90 TBXA2R (0.59) TBXA2RTBXAS1SLC6A3PTGER1PTGFR
SCHEMBL9309433 0.90 TBXA2R (0.44) TBXA2RTBXAS1SLC6A3
SCHEMBL9308585 0.89 TBXAS1 (0.50) TBXA2RTBXAS1SLC6A3
SCHEMBL2453660 0.87 PDE4B (0.44) TBXA2RTBXAS1PTGFRKMT2AFFAR1
SCHEMBL9309249 0.87 PTGER2 (0.37) TBXA2RTBXAS1SLC6A3PTGER2
SCHEMBL7828928 0.87 HDAC1 (0.49)
SCHEMBL2460183 0.86 PDE4B (0.45) TBXA2RTBXAS1PTGFRKMT2AFFAR1

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-5534548-A Method of treating preeclampsia TAP PHARMACEUTICALS, INC. (US) 1996-07-09 US claimed
WO-1995029671-A1 BENZOQUINON ALKANOIC ACIDS FOR TREATING PREECLAMPSIA TAP HOLDINGS INC. (US) 1995-11-09 WO claimed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US claimed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP claimed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP claimed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-5534548-A Method of treating preeclampsia TAP PHARMACEUTICALS, INC. (US) 1996-07-09 US disclosed
WO-1995029671-A1 BENZOQUINON ALKANOIC ACIDS FOR TREATING PREECLAMPSIA TAP HOLDINGS INC. (US) 1995-11-09 WO 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF TBXA2R 3935/4885TBXAS1 3817/4885SLC6A3 3823/4885

“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.