SCHEMBL689199

SCHEMBL689199

O=C(CC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
POLB P06746 1/20 0.51
EGFR P00533 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL689449 0.88 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL4642390 0.86 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL689601 0.85 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL689823 0.85 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4647741 0.85 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL29995062 0.85 CYP3A4 (0.65) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4633863 0.85 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL4644019 0.85 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL3905574 0.85 CYP3A4 (0.65) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29331159 0.84 ALDH1A1 (0.62) CYP3A4ESR1ESR2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464183-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2016-10-11 US disclosed
EP-1724252-B1 COMPOUND AND COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS INC (JP) 2015-10-14 EP disclosed
US-8222446-B2 Method for producing dihydroxybenzene derivative MITSUI CHEMICALS, INC. (JP) 2012-07-17 US disclosed
EP-1820667-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2012-02-29 EP disclosed
EP-1724302-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2011-07-20 EP disclosed
US-20110146886-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2011-01-06 US disclosed
EP-2269976-A1 PROCESS FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2011-01-05 EP disclosed
US-7823614-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2010-11-02 US disclosed
US-20090229728-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-09-17 US disclosed
US-7531288-B2 Negative-working excellent in preservation stability and exhibits high sensitivity and good printing durability; hydrophilic support; and a photosensitive layer containing a polymerization initiator, a chain transfer agent, a compound having an ethylenically unsaturated double bond and a polymer binder FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed
US-7449282-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2008-11-11 US disclosed
US-7368544-B2 Polymerizable composition and planographic printing plate precursor using the same FUJIFILM CORPORATION (JP) 2008-05-06 US disclosed
US-20080047650-A1 Rubber Composition And Pneumatic Tire Using The Same BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed
US-7314698-B2 Polymerizable composition and planographic printing plate precursor using the same FUJIFILM CORPORATION (JP) 2008-01-01 US disclosed
EP-1820667-A1 PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-08-22 EP disclosed
EP-1724252-A1 COMPOUND AND COMPOSITION CONTAINING THE SAME Mitsui Chemicals, Inc. (JP) 2006-11-22 EP disclosed
EP-1724302-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2006-11-22 EP disclosed
US-20060205971-A1 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2006-09-14 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 (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-20060205971-A1 Compound and composition containing the same RFC4, RFC5, RFC1 CYP3A4 2329/4885ESR1 804/4885ESR2 1523/4885
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE UBE2B, UBE2G2, TUBB2B CYP3A4 227/4885ESR1 742/4885ESR2 588/4885

“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.