SCHEMBL559436

SCHEMBL559436

CC(CC(=O)O)c1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
FFAR1 O14842 1/20 0.49
POLB P06746 1/20 0.46
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
CPA1 P15085 2/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39

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
SCHEMBL4976210 0.85 TSHR (0.44) TSHRGABRA1GABRB2FFAR1POLB
SCHEMBL14046834 0.83 TSHR (0.60) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL28963600 0.82 HPGD (0.50) TSHRGABRA1GABRB2POLBAKR1B1
SCHEMBL27457608 0.81 TSHR (0.58) TSHRGABRA1GABRB2POLBAKR1B1
SCHEMBL6841260 0.81 FFAR1 (0.49) FFAR1
Benzene SCHEMBL1836843 0.79 TSHR (0.95) TSHRGABRA1GABRB2POLBHPGD
SCHEMBL1646855 0.79 FFAR1 (0.47) TSHRFFAR1HPGDPTGER1PTGER4
SCHEMBL1644947 0.79 FFAR1 (0.47) TSHRFFAR1HPGDPTGER1PTGER4
SCHEMBL6443530 0.79 EEF2K (0.50) FFAR1CPA1CPB1CPA3CPB2
SCHEMBL31296529 0.79 HTT (0.49) TSHRFFAR1ALOX15PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102941666-A Method for producing devolatilized polyolefin and molded article of polyolefin SUMITOMO CHEMICAL CO 2013-02-27 CN disclosed
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
CN-102458830-A Inorganic particle composite and method for producing inorganic particle composite SUMITOMO CHEMICAL CO 2012-05-16 CN disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 WO disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 TSHR 729/4885GABRA1 7/4885GABRB2 1/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 TSHR 729/4885GABRA1 7/4885GABRB2 1/4885

“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.