SCHEMBL3674519

SCHEMBL3674519

CCCCCCCCCC(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
FDPS P14324 5/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
POLB P06746 1/20 0.41
LAP3 P28838 1/20 0.40
LPAR3 Q9UBY5 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL9234014 1.00 SMPD1 (0.42) SMPD1FDPSZDHHC7POLBLAP3
SCHEMBL9000615 0.98 POLB (0.42) SMPD1FDPSZDHHC7POLBLAP3
SCHEMBL10847001 0.95 POLB (0.41) SMPD1POLB
SCHEMBL3675752 0.93 POLB (0.43) SMPD1FDPSPOLB
SCHEMBL28476219 0.90 LPAR3 (0.43) SMPD1FDPSZDHHC7LPAR3LPAR1
SCHEMBL1051880 0.86 POLB (0.53) FDPSPOLB
SCHEMBL2940140 0.85 SMPD1 (0.43) SMPD1FDPSZDHHC7LAP3LPAR3
SCHEMBL5326687 0.85 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL8616279 0.85 POLB (0.39) POLB
SCHEMBL13924959 0.85 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 SMPD1 2896/4885FDPS 1009/4885ZDHHC7 1647/4885

“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.