SCHEMBL818986

SCHEMBL818986

COC(=O)C1=C(C(=O)OC)CC(C(=O)OC)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
TP53 P04637 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11380734 0.76 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL6928031 0.75 SMN1; SMN2 (0.31) BRD4SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1139285 0.75 BRD4 (0.47) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL17014460 0.75 BRD4 (0.47) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL4868550 0.75 BRD4 (0.47) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL12953852 0.74 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL17756080 0.73 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL22144319 0.73 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL15445855 0.73 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL15768178 0.73 BRD4 (0.42) BRD4TP53CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059681-B2 Disubstituted maleic anhydrides with altered kinetics of ring closure Arrowhead Pharmaceuticals, Inc. (US) 2018-08-28 US disclosed
US-9481661-B2 Disubstituted maleic anhydrides with altered kinetics of ring closure Arrowhead Madison, Inc. (US) 2016-11-01 US disclosed
US-9481661-B2 Disubstituted maleic anhydrides with altered kinetics of ring closure Arrowhead Madison, Inc. (US) 2016-11-01 US disclosed
US-9481661-B2 Disubstituted maleic anhydrides with altered kinetics of ring closure Arrowhead Madison, Inc. (US) 2016-11-01 US disclosed
US-20160272605-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed
US-20160272605-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed
US-20160272605-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed
US-20140128584-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure Arrowhead Madison Inc. (US) 2014-05-08 US disclosed
US-20140128584-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure Arrowhead Madison Inc. (US) 2014-05-08 US disclosed
US-20140128584-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure Arrowhead Madison Inc. (US) 2014-05-08 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
WO-2012173784-A1 DISUBSTITUTED MALEIC ANHYDRIDES WITH ALTERED KINETICS OF RING CLOSURE Arrowhead Madison Inc. (US) 2012-12-20 WO disclosed
WO-2012173784-A1 DISUBSTITUTED MALEIC ANHYDRIDES WITH ALTERED KINETICS OF RING CLOSURE Arrowhead Madison Inc. (US) 2012-12-20 WO disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 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 (7 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 BRD4 224/4885TP53 2929/4885CHRNB2 3335/4885
US-20140128584-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure SRM, CA1, AADAC BRD4 1092/4885TP53 2986/4885CHRNB2 4275/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 BRD4 176/4885TP53 2492/4885CHRNB2 3225/4885
US-20160272605-A1 Disubstituted Maleic Anhydrides with Altered Kinetics of Ring Closure SRM, CA1, AADAC BRD4 1092/4885TP53 2986/4885CHRNB2 4275/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM BRD4 3441/4885TP53 1978/4885CHRNB2 3093/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 BRD4 4776/4885TP53 1643/4885CHRNB2 3762/4885
US-10059681-B2 Disubstituted maleic anhydrides with altered kinetics of ring closure SRM, CA1, AADAC BRD4 1092/4885TP53 2986/4885CHRNB2 4275/4885

“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.