SCHEMBL689630

SCHEMBL689630

O=C(CCCCCCCCC(=O)Oc1cccc(O)c1)Oc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL688275 1.00 CYP3A4 (0.58) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL809344 1.00 CYP3A4 (0.58) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL689823 0.98 CYP3A4 (0.59) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL17200765 0.94 CYP3A4 (0.51) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL3166149 0.94 CYP3A4 (0.51) CYP3A4CNR1CNR2PRSS1PRSS2
SCHEMBL9716546 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL32684489 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL9538006 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL6139167 0.92 KMT2A (0.56) CYP3A4KMT2AMEN1ALDH1A1MAPK1
SCHEMBL27705782 0.92 CYP3A4 (0.53) CYP3A4CNR1CNR2PRSS1PRSS2

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 18 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-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
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-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 (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 2329/4885CNR1 3506/4885CNR2 4356/4885
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE UBE2B, UBE2G2, TUBB2B CYP3A4 227/4885CNR1 2409/4885CNR2 1610/4885

“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.