SCHEMBL689595

SCHEMBL689595

O=C(/C=C/C(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.66
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BCHE P06276 1/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.42
CA6 P23280 1/20 0.42
NPC1 O15118 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
SCHEMBL689426 1.00 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL689425 1.00 CYP3A4 (0.66) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL27686552 0.93 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL27686557 0.93 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29331106 0.91 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL8401389 0.91 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL27568684 0.86 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4647740 0.84 CYP3A4 (0.67) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL220089 0.84 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL29861297 0.84 CYP3A4 (0.61) 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 17 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
EP-1820667-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2012-02-29 EP disclosed
CN-101076457-B Pneumatic tire BRIDGESTONE CORP 2011-07-27 CN 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-7823614-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2010-11-02 US 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-20090229728-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-09-17 US disclosed
US-7491840-B2 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2009-02-17 US disclosed
US-20080047650-A1 Rubber Composition And Pneumatic Tire Using The Same BRIDGESTONE CORPORATION (JP) 2008-02-28 US disclosed
CN-101076457-A Pneumatic tire BRIDGESTONE CORP (JP) 2007-11-21 CN 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 (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-20060205971-A1 Compound and composition containing the same RFC4, RFC5, RFC1 CYP3A4 2329/4885ESR1 804/4885ESR2 1523/4885

“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.