SCHEMBL818222

SCHEMBL818222

O=C(O)C1C=CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.37
GRM2 Q14416 2/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GABRR2 P28476 1/20 0.32
APEX1 P27695 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
LMNA P02545 1/20 0.30
GRM5 P41594 1/20 0.30
PMP22 Q01453 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM3 Q14832 1/20 0.30
GRM4 Q14833 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL6858261 0.79 GABRR1 (0.39) GABRR1GRM2GABRR2APEX1CYP2C9
SCHEMBL12491781 0.77 POLB (0.42) GABRR1GRM2POLBTDP1GABRR2
SCHEMBL27438497 0.76 POLB (0.44) GABRR1GRM2POLBTDP1GABRR2
SCHEMBL284782 0.76 GABRR1 (0.36) GABRR1GRM2POLBTDP1GABRR2
SCHEMBL31061861 0.76 GABRR1 (0.46) GABRR1GRM2TDP1GABRR2APEX1
SCHEMBL8377577 0.76 POLB (0.34) POLBTDP1
SCHEMBL27825601 0.74 GABRR1 (0.34) GABRR1GRM2POLBTDP1GABRR2
SCHEMBL2818572 0.71 GRM2 (0.37) GABRR1GRM2GABRR2GRM3
SCHEMBL25415171 0.69 POLB (0.36) GABRR1POLBTDP1APEX1SLC1A2
SCHEMBL8460796 0.69 GRM2 (0.35) GABRR1GRM2POLBGABRR2GRM3

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 35 patents — showing the first 20. 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-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-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-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
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148063-A2 CYCLOHEXENE 1,4-CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148049-A2 PREPARATION OF TRANS, TRANS MUCONIC ACID AND TRANS, TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148070-A2 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2010-12-23 WO disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
CN-1263798-C Vinyl chloride series resin paste for hollow forming and formed article therefrom DAINIPPON INK & CHEMICALS (JP) 2006-07-12 CN disclosed
CN-1446846-A Vinyl chloride series resin paste for hollow forming and formed article therefrom DAINIPPON INK & CHEMICALS (JP) 2003-10-08 CN 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-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 GABRR1 2358/4885GRM2 2533/4885POLB 3795/4885

“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.