SCHEMBL689601

SCHEMBL689601

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.40
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL27686630 0.88 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL689199 0.85 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL9358913 0.83 KMT2A (0.49) KMT2AKDM4EALDH1A1LMNA
SCHEMBL28523831 0.83 CYP3A4 (0.57) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL929322 0.82 CYP3A4 (0.46) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL2014916 0.82 CYP19A1 (0.45) EGFRKMT2AALDH1A1LMNA
SCHEMBL689834 0.80 KMT2A (0.43) ESR1ESR2HIF1AMEN1KMT2A
SCHEMBL10787286 0.78 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL4647741 0.78 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL689449 0.78 CYP3A4 (0.63) CYP3A4ESR1ESR2POLBEGFR

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
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-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 (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.