SCHEMBL14865246

SCHEMBL14865246

Cc1c(C(C)(C)C)cc(CCC(=O)O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ RXRA P19793 1/20 0.49
▸ RXRB P28702 1/20 0.49
▸ RXRG P48443 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ FFAR1 O14842 6/20 0.41
▸ NR1H4 Q96RI1 3/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL17805170 0.85 GAA (0.49) GAARXRARXRBRXRGNPSR1
SCHEMBL39190 0.85 GAA (0.66) GAARXRARXRBRXRGNPSR1
Methane SCHEMBL2168088 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
Ammonia Solution, Strong SCHEMBL4047307 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
SCHEMBL31344084 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
Hydrochloric Acid SCHEMBL7945960 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
Ammonia Solution, Strong SCHEMBL1082127 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
SCHEMBL10554758 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
SCHEMBL11368092 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1
Phosphine SCHEMBL28705181 0.84 GAA (0.64) GAARXRARXRBRXRGNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115117-A1 NOVEL MACROMOLECULAR ANTIOXIDANTS COMPRISING DIFFERING ANTIOXIDANT MOIETIES: STRUCTURES, METHODS OF MAKING AND USING THE SAME POLNOX CORPORATION 2016-04-28 — — US disclosed
EP-2443192-B1 Flame-retardant polyamide moulding materials THOR GMBH (DE) 2013-04-17 — — EP 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-20160115117-A1 NOVEL MACROMOLECULAR ANTIOXIDANTS COMPRISING DIFFERING ANTIOXIDANT MOIETIES: STRUCTURES, METHODS OF MAKING AND USING THE SAME GPX4, GPX1, TXN2 GAA 953/4885RXRA 1883/4885RXRB 2072/4885

“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.

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