SCHEMBL2460183

SCHEMBL2460183

COc1ccc(C(CCCCC(=O)O)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TBXAS1 P24557 3/20 0.41
TBXA2R P21731 3/20 0.41
FFAR1 O14842 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGFR P43088 1/20 0.38
KYAT1 Q16773 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL2453660 0.99 PDE4B (0.44) PDE4BHTTNPSR1TBXAS1TBXA2R
SCHEMBL7821080 0.89 CDC25A (0.42) PDE4BHTTNPSR1TBXAS1TBXA2R
SCHEMBL7828948 0.88 TBXAS1 (0.43) PDE4BHTTNPSR1TBXAS1TBXA2R
SCHEMBL9558902 0.87 HDAC1 (0.51)
SCHEMBL2490724 0.86 TBXA2R (0.46) TBXAS1TBXA2RFFAR1KMT2APTGFR
SCHEMBL9308585 0.85 TBXAS1 (0.50) TBXAS1TBXA2R
Seratrodast SCHEMBL98402 0.84 TBXAS1 (0.52) TBXAS1TBXA2R
Seratrodast SCHEMBL98403 0.84 TBXAS1 (0.52) TBXAS1TBXA2R
SCHEMBL9308117 0.84 TBXAS1 (0.52) TBXAS1TBXA2R
SCHEMBL9391332 0.84 PDE4B (0.57) PDE4BHTTNPSR1TBXAS1TBXA2R

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 15 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
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP 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 PDE4B 122/4885HTT 694/4885NPSR1 4655/4885

“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.