Terephthalic Acid

Terephthalic Acid

SCHEMBL942934

O=C(O)/C=C/C(=O)O.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.71

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 5/20 0.71
TP53 P04637 2/20 0.71
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
SRD5A2 P31213 3/20 0.60
CA12 O43570 1/20 0.57
CA3 P07451 1/20 0.57
TYR P14679 1/20 0.57
DRD1 P21728 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
DAO P14920 1/20 0.55

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 SCHEMBL9300604 1.00 TSHR (0.71) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL8760212 1.00 TSHR (0.71) TSHRTP53CA1CA2SRD5A2
Paraben SCHEMBL28953307 0.90 CA2 (0.76) TSHRTP53CA1CA2SRD5A2
Benzoic Acid SCHEMBL3235670 0.89 TSHR (0.74) TSHRTP53CA1CA2SRD5A2
Benzoic Acid SCHEMBL3235664 0.89 TSHR (0.74) TSHRTP53CA1CA2SRD5A2
Benzoic Acid SCHEMBL11482567 0.89 TSHR (0.74) TSHRTP53CA1CA2SRD5A2
Benzoic Acid SCHEMBL30087353 0.89 TSHR (0.74) TSHRTP53CA1CA2SRD5A2
Aminobenzoic Acid SCHEMBL28605501 0.88 TSHR (0.55) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL28186926 0.88 TSHR (0.55) TSHRTP53CA1CA2SRD5A2
Maleic Acid SCHEMBL28020629 0.88 BCL2L1 (0.68) TSHRTP53CA1CA2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867680-B2 Non-magnetic toner for one-component development and method of preparing the toner, and image developer, image forming apparatus, process cartridge and image forming method RICOH COMPANY LIMITED (JP) 2011-01-11 US disclosed
EP-0414416-B1 Aromatic polyanhydride compositions MASSACHUSETTS INST TECHNOLOGY (US) 1997-06-04 EP disclosed
WO-1992010206-A1 USE OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE 2 IN THE TREATMENT OF CANCER DELTA BIOTECHNOLOGY LIMITED (GB) 1992-06-25 WO disclosed
US-4997904-A Drug delivery NOVA PHARMACEUTICAL CORPORATION (US) 1991-03-05 US disclosed
EP-0414416-A2 Aromatic polyanhydride compositions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-02-27 EP disclosed
US-4309297-A Heat storage material NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1982-01-05 US disclosed