Terephthalic Acid

Terephthalic Acid

SCHEMBL30148140

C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=C([O-])c1ccc(C(=O)[O-])cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC5A7 Q9GZV3 1/20 0.48
CA2 P00918 16/20 0.45
CA1 P00915 15/20 0.45
CA4 P22748 1/20 0.41

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
Aminobenzoic Acid SCHEMBL5928100 0.91 LMNA (0.43) MEN1LMNAKMT2ACYP3A4SLC5A7
Benzoic Acid SCHEMBL2196273 0.90 CA2 (0.57) MEN1LMNAKMT2ACYP3A4SLC5A7
Isophthalic Acid SCHEMBL30148147 0.85 KMT2A (0.41) MEN1LMNAKMT2ACYP3A4SLC5A7
Benzoic Acid SCHEMBL16106190 0.83 CA2 (0.53) MEN1LMNAKMT2ACYP3A4SLC5A7
Terephthalic Acid SCHEMBL11804306 0.83 CA2 (0.48) CA2CA1CA4
Beta-Naphtoic Acid SCHEMBL28561493 0.82 CES2 (0.47) MEN1KMT2ACYP3A4
Benzoic Acid SCHEMBL20919826 0.82 CA2 (0.47) MEN1LMNAKMT2ACYP3A4SLC5A7
Phthalic Acid SCHEMBL7100569 0.80 MEN1 (0.44) MEN1LMNAKMT2ACYP3A4SLC5A7
Gallic Acid SCHEMBL27148640 0.80 LMNA (0.40) MEN1LMNAKMT2ACYP3A4SLC5A7
Terephthalic Acid SCHEMBL106549 0.79 CA2 (0.59) CA2CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560579-B2 Method for pretreating lignocellulosic biomass Petróleo Brasileiro S.A.—Petrobras (BR) 2023-01-24 US claimed
US-11560579-B2 Method for pretreating lignocellulosic biomass Petróleo Brasileiro S.A.—Petrobras (BR) 2023-01-24 US disclosed