Terephthalic Acid

Terephthalic Acid

SCHEMBL4450034

O.O.O.O=C(O)c1ccc(C(=O)O)cc1.[Cu]

nearest known ligand 0.86

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 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.86
TP53 P04637 1/20 0.86
SRD5A2 P31213 4/20 0.71
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA12 O43570 1/20 0.67
CA3 P07451 1/20 0.67
TYR P14679 1/20 0.67
DRD1 P21728 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
NAPRT Q6XQN6 2/20 0.65
DAO P14920 1/20 0.65
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 1/20 0.63

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
Terephthalic Acid SCHEMBL11771938 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL31011418 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL2884946 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL996091 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL27505341 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL25381766 0.96 TSHR (0.92) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL9130691 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL28895258 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL28895260 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL29023833 0.93 TSHR (0.86) TSHRTP53SRD5A2CA1CA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654418-B1 AGRICULTURAL COMPOSITION COMPRISING PH SENSITIVE AGRICULTURAL CHEMICALS AND ORGANIC PH BUFFER NUTRIAG LTD (CA) 2017-08-23 EP disclosed
US-9433208-B2 Crop oil concentrate adjuvants containing amine surfactants HUNTSMAN PETROCHEMICAL LLC (US) 2016-09-06 US disclosed
US-9277747-B2 Agricultural composition comprising pH sensitive agricultural chemicals and organic pH buffer NUTRIAG LTD. (CA) 2016-03-08 US disclosed
US-20140249032-A1 Crop Oil Concentrate Adjuvants Containing Amine Surfactants HUNTSMAN PETROCHEMICAL LLC (US) 2014-09-04 US disclosed
US-8765637-B2 Crop oil concentrate adjuvants containing amine surfactants HUNTSMAN PETROCHEMICAL LLC (US) 2014-07-01 US disclosed
EP-2654418-A1 AGRICULTURAL COMPOSITION COMPRISING PH SENSITIVE AGRICULTURAL CHEMICALS AND ORGANIC PH BUFFER Nutriag Ltd. (CA) 2013-10-30 EP disclosed
WO-2012083453-A1 AGRICULTURAL COMPOSITION COMPRISING PH SENSITIVE AGRICULTURAL CHEMICALS AND ORGANIC PH BUFFER NUTRIAG LTD. (CA) 2012-06-28 WO disclosed
US-20120157317-A1 AGRICULTURAL COMPOSITION COMPRISING PH SENSITIVE AGRICULTURAL CHEMICALS AND ORGANIC PH BUFFER NUTRIAG LTD (CA) 2012-06-21 US disclosed
EP-1399019-B1 ADJUVANT COMPOSITIONS AND PESTICIDES HUNTSMAN SPEC CHEM CORP (US) 2009-05-13 EP disclosed
US-20080020933-A1 Crop Oil Concentrate Adjuvants Containing Amine Surfactants INDORAMA VENTURES OXIDES LLC 2008-01-24 US disclosed
WO-2006080917-A1 SURFACE-ACTIVE POLYMERS - AGRICULTURAL APPLICATIONS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2006-08-03 WO disclosed
WO-2005084437-A1 CROP OIL CONCENTRATE ADJUVANTS CONTAINING AMINE SURFACTANTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-09-15 WO disclosed
WO-2005060756-A1 SURFACTANT ENHANCED QUICK RELEASE PESTICIDE GRANULES HUNTSMAN PETROCHEMICAL CORPORATION (US) 2005-07-07 WO disclosed
EP-1399019-A4 ADJUVANT COMPOSITIONS AND PESTICIDES HUNTSMAN SPEC CHEM CORP (US) 2004-11-24 EP disclosed
US-20040142823-A1 Adjuvant compositions and pesticides DEUTSCHE BANK TRUST COMPANY AMERICAS, AS AGENT 2004-07-22 US disclosed
US-20040106523-A1 Alkylene carbonate adjuvants EDGECRAFT CORPORATION 2004-06-03 US disclosed
EP-1399019-A1 ADJUVANT COMPOSITIONS AND PESTICIDES Huntsman Petrochemical Corporation (US) 2004-03-24 EP disclosed
WO-2003096807-A1 AGRICULTURAL FORMULATIONS CONTAINING ENHANCED SURFACTANTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2003-11-27 WO disclosed
WO-2002098221-A1 ADJUVANT COMPOSITIONS AND PESTICIDES HUNTSMAN PETROCHEMICAL CORPORATION (US) 2002-12-12 WO disclosed
WO-2002078441-A1 ALKYLENE CARBONATE ADJUVANTS HUNTSMAN PETROCHEMICAL CORPORATION (US) 2002-10-10 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 (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-20080020933-A1 Crop Oil Concentrate Adjuvants Containing Amine Surfactants MLX, DDT, BMX TSHR 2261/4885TP53 2589/4885SRD5A2 4063/4885
US-20040142823-A1 Adjuvant compositions and pesticides ITPR3, ACHE, ORAI3 TSHR 2796/4885TP53 155/4885SRD5A2 2650/4885
US-20140249032-A1 Crop Oil Concentrate Adjuvants Containing Amine Surfactants MLX, DDT, MAX TSHR 2367/4885TP53 2746/4885SRD5A2 3904/4885
US-20040106523-A1 Alkylene carbonate adjuvants ACHE, CA3, PLCG2 TSHR 2374/4885TP53 2434/4885SRD5A2 1594/4885

“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.