Terephthalic Acid

Terephthalic Acid

SCHEMBL6906820

C=COCC.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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 3/20 0.48
TP53 P04637 2/20 0.48
PLA2G4B P0C869 2/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
SRD5A2 P31213 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 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
Benzoic Acid SCHEMBL4217226 0.92 DAO (0.52) ALDH1A1L3MBTL1TSHRTP53PLA2G4B
Isophthalic Acid SCHEMBL6904865 0.85 KMT2A (0.49) ALDH1A1TP53CA1CA2SMN1; SMN2
Beta-Naphtoic Acid SCHEMBL15021090 0.82 KDM4E (0.51) ALDH1A1TP53SMN1; SMN2MAPT
Bicarbonate SCHEMBL28785631 0.80
SCHEMBL28366855 0.79 TDP1 (0.46) ALDH1A1L3MBTL1TP53SMN1; SMN2MAPT
Terephthalic Acid SCHEMBL1680325 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1TSHRTP53CA1
SCHEMBL7129810 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTP53SMN1; SMN2RXRA
Acetic Acid SCHEMBL6676468 0.78
Terephthalic Acid SCHEMBL2264605 0.76 TSHR (0.60) ALDH1A1TSHRTP53PLA2G4BCA1
Terephthalic Acid SCHEMBL4609059 0.76 TSHR (0.60) ALDH1A1L3MBTL1TSHRTP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429311-B1 Polyester bottles ICI PLC (GB) 1998-01-14 EP claimed
US-5529744-A INJECTION MOLDING A THERMOPLASTIC POLYMER WHICH CONTAINS FINE METAL PARTICLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-06-25 US claimed
US-5419936-A OF A POLYMER CONTAINING METAL PARTICLES WHICH ABSORB RADIATION IN A SPECIFIED WAVELENGTH REGION ICI CHEMICAL INDUSTRIES PLC (GB) 1995-05-30 US claimed
EP-0429311-A2 Polyester bottles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP claimed
EP-0906356-B1 Process for producing a polyester polymer DUPONT TEIJIN FILMS US LTD (US) 2004-11-10 EP disclosed
EP-1082377-A1 METHOD OF PRODUCING A THERMOPLASTIC POLYMER PREFORM AND AN ARTICLE PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed
WO-1999061514-A1 METHOD OF PRODUCING A THERMOPLASTIC POLYMER PREFORM AND AN ARTICLE PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO disclosed
EP-0906356-A1 POLYESTER ARTICLE E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1999-04-07 EP disclosed
EP-0429311-B1 Polyester bottles ICI PLC (GB) 1998-01-14 EP disclosed
WO-1997047675-A1 POLYESTER ARTICLE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-18 WO disclosed
US-5529744-A INJECTION MOLDING A THERMOPLASTIC POLYMER WHICH CONTAINS FINE METAL PARTICLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-06-25 US disclosed
US-5419936-A OF A POLYMER CONTAINING METAL PARTICLES WHICH ABSORB RADIATION IN A SPECIFIED WAVELENGTH REGION ICI CHEMICAL INDUSTRIES PLC (GB) 1995-05-30 US disclosed
EP-0429311-A2 Polyester bottles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-29 EP disclosed