SCHEMBL821278

SCHEMBL821278

CCCCOC(=O)C1CC(C(=O)OC)C=CC1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 4/20 0.35
DNTT P04053 1/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 4/20 0.33
ATM Q13315 2/20 0.33
RECQL P46063 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 4/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 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
SCHEMBL820100 0.90 ALDH1A1 (0.42) RAB9AALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL818518 0.82 CYP1A2 (0.36) MAPK1CHRM2CHRM4CHRM3TSHR
SCHEMBL1298046 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1CHRM2CHRM4
SCHEMBL14473946 0.74 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12293872 0.74 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL820967 0.74 CA1 (0.37) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL7669797 0.73 ALDH1A1 (0.52) RAB9AALDH1A1L3MBTL1MAPK1CHRM2
SCHEMBL7669796 0.73 ALDH1A1 (0.52) RAB9AALDH1A1L3MBTL1MAPK1CHRM2
SCHEMBL818820 0.72 CYP3A4 (0.47) ALDH1A1L3MBTL1MAPK1ATMRECQL
SCHEMBL14878543 0.72 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPK1KDM4ECHRM2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 US 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-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 (4 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 NPC1 1875/4885RAB9A 3530/4885CASP1 1202/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 NPC1 1958/4885RAB9A 3735/4885CASP1 1423/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM NPC1 3945/4885RAB9A 4828/4885CASP1 3030/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 NPC1 1091/4885RAB9A 604/4885CASP1 4139/4885

“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.