SCHEMBL689823

SCHEMBL689823

O=C(CCCCC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
POLB P06746 1/20 0.49
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
KMT2A Q03164 4/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL688275 0.98 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689630 0.98 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL809344 0.98 CYP3A4 (0.58) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL27705782 0.93 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL4642004 0.93 CYP3A4 (0.53) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL689449 0.92 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL17200765 0.92 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL3638907 0.92 CYP3A4 (0.56) CYP3A4ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL3166149 0.92 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBCNR1
SCHEMBL4644097 0.92 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBCNR1

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 29 patents — showing the first 20. 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
US-9464183-B2 Rubber composition and pneumatic tire using the same BRIDGESTONE CORPORATION (JP) 2016-10-11 US disclosed
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-8309629-B2 Ink composition, inkjet recording method, printed material, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2012-11-13 US 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
US-20110146886-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING THE SAME BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed
US-7491840-B2 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2009-02-17 US disclosed
WO-2009020072-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-02-12 WO disclosed
US-20080213550-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-09-04 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

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.