Isophthalic Acid

Isophthalic Acid

SCHEMBL2468458

O=C(O)c1ccc(C(=O)O)c2c1CCC2.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
Isophthalic Acid SCHEMBL381642 0.96 KDM4E (0.49) RXRARXRBMRGPRX4KDM4EALDH1A1
Isophthalic Acid SCHEMBL1537969 0.95 KMO (0.47) RXRARXRBMRGPRX4KDM4EALDH1A1
Isophthalic Acid SCHEMBL1414739 0.93 KDM4E (0.49) RXRARXRBMRGPRX4KDM4EALDH1A1
Isophthalic Acid SCHEMBL381836 0.92 KDM4E (0.52) KDM4EALDH1A1CA12CA1CA2
Sebacic Acid SCHEMBL11230503 0.85 HDAC3 (0.45) RXRARXRBMRGPRX4KDM4ERXRG
Terephthalic Acid SCHEMBL5190712 0.84 TSHR (0.52) RXRARXRBALDH1A1CA12CA1
SCHEMBL251512 0.84 CYP1A2 (0.57) RXRARXRBKDM4EALDH1A1CA12
SCHEMBL5315521 0.84 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL973641 0.82 CYP1A2 (0.55) RXRARXRBKDM4EALDH1A1CA12
Terephthalic Acid SCHEMBL4543853 0.80 TSHR (0.52) RXRARXRBALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380883-A1 CYCLIC CARBODIIMIDE COMPOUNDS Teijin Limited (JP) 2011-10-26 EP disclosed
US-20110251384-A1 CYCLIC CARBODIIMIDE COMPOUNDS TEIJIN LIMITED (JP) 2011-10-13 US disclosed
EP-2374833-A1 METHOD FOR USING CYCLIC CARBODIMIDE Teijin Limited (JP) 2011-10-12 EP disclosed
US-20110237755-A1 METHOD OF USING A CYCLIC CARBODIIMIDE TEIJIN LIMITED (JP) 2011-09-29 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 (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-20110251384-A1 CYCLIC CARBODIIMIDE COMPOUNDS APEX1, LIG4, EPB41 RXRA 3416/4885RXRB 3620/4885MRGPRX4 2585/4885

“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.