SCHEMBL5003265

SCHEMBL5003265

O=C(CCCCCCCCCCBr)OO.O=C(O)CCCCCCCCCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
ALDH1A1 P00352 4/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
FABP4 P15090 2/20 0.43
ALOX15 P16050 2/20 0.43
PTPN1 P18031 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL4924469 0.91 DGKA (0.38) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL26968050 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5606592 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL30480643 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL29351742 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL25353913 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL28126894 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1642803 0.91 TSHR (0.63) TSHRLMNANFKB1PMP22GPR84
SCHEMBL27467023 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1668338 0.89 LMNA (0.61) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275005-A1 MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS, INC. 2008-11-06 US disclosed
US-20070270381-A1 Mitochondrially targeted antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-11-22 US disclosed
US-7232809-B2 Mitochondrially targeted antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20050245487-A1 Mitochondrially targeted antioxidants ANTIPODEAN BIOTECHNOLOGY LIMITED (NZ) 2005-11-03 US disclosed
US-20040106579-A1 Mitochondrially targeted antioxidants UNIVERSITY OF OTAGO (NZ) 2004-06-03 US disclosed
US-20030069208-A1 Mitochondrially targeted antioxidants UNIVERSITY OF OTAGO 2003-04-10 US disclosed
US-20020052342-A1 Mitochondrially targeted antioxidants UNIVERSITY OF OTAGO 2002-05-02 US disclosed
US-6331532-B1 COMPOUND COMPRISING LIPOPHILIC CATION COVALENTLY COUPLED TO ANTIOXIDANT MOIETY WHICH IS CAPABLE OF BEING TRANSPORTED THROUGH MITOCHONDRIAL MEMBRANE AND ACCUMULATED WITHIN MITOCHONDRIA OF INTACT CELLS UNIVERSITY OF OTAGO (NZ) 2001-12-18 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 (6 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-20050245487-A1 Mitochondrially targeted antioxidants PRDX5, TXN2, TXNRD2 TSHR 3829/4885LMNA 1201/4885NFKB1 1594/4885
US-20030069208-A1 Mitochondrially targeted antioxidants PRDX5, TXNRD2, TXN2 TSHR 4254/4885LMNA 1167/4885NFKB1 1119/4885
US-20070270381-A1 Mitochondrially targeted antioxidants PRDX5, TXN2, PRDX3 TSHR 3778/4885LMNA 1154/4885NFKB1 1773/4885
US-20020052342-A1 Mitochondrially targeted antioxidants PRDX5, PRDX3, TXN2 TSHR 3805/4885LMNA 960/4885NFKB1 1341/4885
US-20080275005-A1 MITOCHONDRIALLY TARGETED ANTIOXIDANTS PRDX5, TXN2, PRDX3 TSHR 3778/4885LMNA 1154/4885NFKB1 1773/4885
US-20040106579-A1 Mitochondrially targeted antioxidants PRDX5, PRDX3, TXN2 TSHR 3774/4885LMNA 1014/4885NFKB1 1633/4885

“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.