Terephthalic Acid

Terephthalic Acid

SCHEMBL8434829

C[N+](C)(C)Cc1ccccc1.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

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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 3/20 0.65
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TSHR P16473 3/20 0.53
HSD17B10 Q99714 1/20 0.53
SRD5A2 P31213 5/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
TAS2R14 Q9NYV8 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.48
BCL2 P10415 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 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
Terephthalic Acid SCHEMBL8092882 1.00 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1TSHRHSD17B10
Benzoic Acid SCHEMBL592072 0.96 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL13396749 0.92 ALDH1A1 (0.59) ALDH1A1KDM4ETDP1TSHRSRD5A2
Terephthalic Acid SCHEMBL8434830 0.91 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1TSHRHSD17B10
Aminobenzoic Acid SCHEMBL5875033 0.91 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL9133941 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL9134559 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL9460632 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL9132279 0.90 TSHR (0.57) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL9460300 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed
US-5911099-A Electroconductiive member and electrophotogrpahic apparatus BRIDGESTONE CORPORATION (JP) 1999-06-08 US disclosed
US-4255553-A COMPRISING A COMPOUND HAVING AT LEAST TWO EPOXY GROUPS, A POLYESTER OR ACRYLIC RESIN, AND A QUARTERNARY AMMONIUM CARBOXYLATE AS CATALYST TOYO BOSEKI KABUSHIKI KAISHA (JP) 1981-03-10 US disclosed