SCHEMBL425310

SCHEMBL425310

COc1cc(C2CC(=O)C2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
NR3C1 P04150 2/20 0.60
QDPR P09417 2/20 0.59
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTPN1 P18031 2/20 0.54
ALOX5 P09917 1/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL426375 0.84 PDE4A (0.64) NR3C1GAATSHRPOLB
SCHEMBL11130424 0.82 QDPR (0.76) CA2NR3C1QDPRMEN1GAA
SCHEMBL11099921 0.80 PDE4A (0.76) CA2NR3C1QDPRKMT2A
SCHEMBL16054955 0.78 POLB (0.48) QDPRGAAL3MBTL1POLB
SCHEMBL8864091 0.78 QDPR (0.69) CA2NR3C1QDPRPTPN1ALOX5
SCHEMBL7054809 0.78 PDE4A (0.60) NR3C1GAATSHRPOLB
SCHEMBL9223540 0.78 ALOX5 (0.55) CA2NR3C1QDPRMEN1GAA
SCHEMBL3195713 0.77 GAA (0.46) CA2NR3C1MEN1GAAKMT2A
SCHEMBL31546100 0.76 ALOX5 (0.57) CA2NR3C1QDPRMEN1GAA
SCHEMBL13062522 0.75 QDPR (0.61) CA2NR3C1QDPRMEN1GAA

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-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US 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 (3 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 CA2 3886/4885NR3C1 2860/4885QDPR 256/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 CA2 3886/4885NR3C1 2860/4885QDPR 256/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 CA2 3886/4885NR3C1 2860/4885QDPR 256/4885

“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.