SCHEMBL3675754

SCHEMBL3675754

CCCC(CC)C(CC)(C(=O)OCC)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MMP8 P22894 1/20 0.33
FDPS P14324 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL9000621 0.91 FDPS (0.44) POLBMMP8FDPSCYP4F2CYP4A11
SCHEMBL3889930 0.90 MMP8 (0.37) MMP8CYP2D6CYP2C9CYP2C19CYP4F2
SCHEMBL9234022 0.90 FDPS (0.46) FDPS
SCHEMBL3674521 0.88 FDPS (0.49) FDPS
SCHEMBL9380998 0.86 CYP4F2 (0.36) MMP8CYP4F2CYP4A11
SCHEMBL6784316 0.80 SMN1; SMN2 (0.43) POLBMMP8
SCHEMBL1932712 0.79 MMP8 (0.36) MMP8CYP2D6CYP2C9CYP2C19CYP4F2
SCHEMBL11595501 0.78 CYP2D6 (0.36) MMP8CYP2D6CYP2C9CYP2C19CYP4F2
SCHEMBL7267997 0.76 MMP8 (0.34) MMP8CYP4F2CYP4A11
SCHEMBL2356491 0.75 FDPS (0.35) POLBMMP8FDPSCYP2D6CYP2C9

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-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
EP-0749428-B1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER (US) 1998-07-29 EP disclosed
EP-0730588-B1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1997-07-02 EP disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 POLB 264/4885MMP8 4054/4885FDPS 1009/4885

“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.