SCHEMBL689449

SCHEMBL689449

O=C(CCC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.45
ACHE P22303 1/20 0.45
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
EGFR P00533 1/20 0.43

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
SCHEMBL15875785 0.93 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL689823 0.92 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL29331159 0.91 ALDH1A1 (0.62) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL4644534 0.91 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL31188847 0.91 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL809344 0.91 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL688275 0.91 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL689630 0.91 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL4643939 0.89 CYP3A4 (0.56) CYP3A4ESR1ESR2POLBKMT2A
SCHEMBL1827149 0.89 CYP3A4 (0.61) CYP3A4ESR1ESR2POLBKMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785123-B2 Direct hierarchical assembly of nanoparticles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-22 US claimed
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
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
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
US-7491840-B2 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2009-02-17 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
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
EP-0052927-B1 STRETCHED FILM STRUCTURE OF THE POLY-1,3-PHENYLENE TEREPHTHALATE TYPE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-01-07 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 (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.