SCHEMBL21019461

SCHEMBL21019461

CC(C)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
ALDH1A1 P00352 1/20 0.44
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
RXRA P19793 2/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL18309202 0.95 FABP3 (0.52) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL18309199 0.93 FABP3 (0.50) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL18309171 0.86 FABP3 (0.45) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL27744380 0.85 ACE2 (0.46) FABP3FABP4ACE2RXRACSNK2A1
SCHEMBL5160469 0.84 FABP3 (0.47) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL18309194 0.83 FABP3 (0.42) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL19826061 0.83 FABP3 (0.42) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL20724874 0.81 GABRP (0.43) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL29077088 0.80 FABP3 (0.44) FABP3FABP4ACE2ALDH1A1BCL2
SCHEMBL10136527 0.80 EIF4A3 (0.44) FABP3FABP4ACE2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190153025-A1 Dithioamine Reducing Agents WISCONSIN ALUMNI RESEARCH FOUNDATION 2019-05-23 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 (1 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-20190153025-A1 Dithioamine Reducing Agents TMT1A, QSOX1, TST FABP3 979/4885FABP4 1681/4885ACE2 1117/4885

“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.