SCHEMBL4129232

SCHEMBL4129232

COC(=O)C(C)(C)CCCc1ccc(C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
NR1H4 Q96RI1 2/20 0.49
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
RXRA P19793 1/20 0.41
LTA4H P09960 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
RARB P10826 1/20 0.38
PTGDR Q13258 1/20 0.37
ELANE P08246 1/20 0.36
PPARA Q07869 1/20 0.36
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACLY P53396 1/20 0.36
PTK2B Q14289 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
SCHEMBL4133369 0.90 DPP4 (0.41) EPHX2NR1H4LMNAHTTKDM4E
SCHEMBL4128817 0.89 EPHX2 (0.38) EPHX2NR1H4ELANE
SCHEMBL1799386 0.78 RARB (0.50) EPHX2NR1H4RAB9ARXRARARB
SCHEMBL20178564 0.76 AGTR1 (0.56) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL27810622 0.74 RARB (0.63) AGTR1AGTR2RARB
SCHEMBL24213979 0.73 EPHX2 (0.49) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL13535960 0.73 EPHX2 (0.51) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL4127745 0.72 PTPRB (0.46) EPHX2NR1H4RAB9ARXRARARB
SCHEMBL11964298 0.71 HTT (0.57) EPHX2NR1H4LMNAMAPK1HTT
SCHEMBL9952644 0.71 RXRA (0.49) EPHX2NR1H4LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 EPHX2 390/4885NR1H4 105/4885LMNA 4545/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 EPHX2 390/4885NR1H4 105/4885LMNA 4545/4885

“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.