Isophthalic Acid

Isophthalic Acid

SCHEMBL6544630

CC1(C)CCCC(C)(C)N1.CC1(C)CCCC(C)(C)N1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMO O15229 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
EZH2 Q15910 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 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 SCHEMBL23581094 0.89 TSHR (0.52) MEN1KMT2AGAAHPGDEZH2
Terephthalic Acid SCHEMBL6544696 0.85 TP53 (0.48) CA12CA1CA2CA6CA9
SCHEMBL26145005 0.79 CA12 (0.44) CA12CA1CA2CA6CA9
Phthalic Acid SCHEMBL6544237 0.79 ALOX15 (0.52) CA12CA1CA2CA6CA9
Isonicotinic Acid SCHEMBL28836313 0.78 NAPRT (0.57) MEN1KMT2AGAAHSD17B10ALDH1A1
Isophthalic Acid SCHEMBL28737082 0.77 KMO (0.58) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL259039 0.75 KMO (0.60) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL6857089 0.75 KMO (0.60) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL27962393 0.75 KMO (0.60) CA12CA1CA2CA6CA9
Isophthalic Acid SCHEMBL30529662 0.74 CA12 (0.65) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686424-B2 USE IN RADICAL POLYMERIZATION; REACTING AN OXIDIZING AGENT WITH A STERICALLY HINDERED SECONDARY AMINE TO PRODUCE A NITROXY RADICAL; ADDING TO THE NITROXY RADICAL ONE OR MORE VINYL MONOMER BAYER AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
EP-1375476-A1 A new process for the synthesis of alkoxyamines active in controlled radical polymerization Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
EP-1375457-A1 One-pot process for the preparation of functionalized alkoxyamines Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-20040002606-A1 Process for the synthesis for alkoxy amines and their use in controlled radical polymerization BAYER AKTIENGESELLSCHAFT (DE) 2004-01-01 US disclosed
US-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE BAYER AKTIENGESELLSCHAFT (DE) 2003-12-25 US 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 (2 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-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE NOS1, NOS2, CBR1 CA12 4539/4885CA1 3754/4885CA2 4133/4885
US-20040002606-A1 Process for the synthesis for alkoxy amines and their use in controlled radical polymerization ALKBH3, MAOB, ALKBH1 CA12 4152/4885CA1 3261/4885CA2 3253/4885

“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.