SCHEMBL4123315

SCHEMBL4123315

CCOC(=O)C(C)(C)CCOc1cc(C(=O)Cl)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PLA2G4A P47712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
CNR2 P34972 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 2/20 0.31
MAPT P10636 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL4129444 0.89 SMPD1 (0.43) SMPD1CYP4F2CYP4A11PLA2G4ASMN1; SMN2
SCHEMBL4115981 0.87 SMPD1 (0.44) SMPD1CYP4F2CYP4A11SMN1; SMN2NR1H2
SCHEMBL4132115 0.78 SMPD1 (0.48) SMPD1SMN1; SMN2NPC1RAB9ATHRB
SCHEMBL4124527 0.68 SMPD1 (0.41) SMPD1MEN1KMT2A
SCHEMBL1190827 0.67 CHRNA4 (0.50) SMPD1SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL21991986 0.67 PPARA (0.60) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL5888245 0.66 SMPD1 (0.57) SMPD1PLA2G4ACHRNA4MEN1KMT2A
SCHEMBL21991979 0.65 PPARA (0.50) CYP4F2CYP4A11SMN1; SMN2ABCB11CYP1A2
SCHEMBL10519525 0.65 SMPD1 (0.60) SMPD1NPC1RAB9ATHRBMEN1
SCHEMBL21991584 0.65 TSHR (0.63) SMN1; SMN2CYP1A2TSHRPPARARAB9A

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 SMPD1 1524/4885CYP4F2 1487/4885CYP4A11 591/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMPD1 1524/4885CYP4F2 1487/4885CYP4A11 591/4885

“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.