SCHEMBL3205158

SCHEMBL3205158

CCCCCCCCCCCCCCc1ccccc1Nc1ccccc1CCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL3202309 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL29785474 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL10868916 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL1567827 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9418574 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL31139998 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL14785526 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL2492910 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL10869653 1.00 LIPG (0.56) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL14785273 0.92 CYP3A4 (0.46) LIPGTHRATHRBNR1H2NR1H3

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-8222457-B2 Coordination compounds of the boron group CHEMETALL GMBH (DE) 2012-07-17 US disclosed
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2010-02-04 US disclosed
EP-2097424-A1 COORDINATION COMPOUNDS OF THE BORON GROUP Chemetall GmbH (DE) 2009-09-09 EP disclosed
US-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof CHEMETALL GMBH (DE) 2009-03-05 US disclosed
WO-2008059065-A1 COORDINATION COMPOUNDS OF THE BORON GROUP CHEMETALL GMBH (DE) 2008-05-22 WO 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-20090062497-A1 Borate Salts, Method for the Production Thereof and Use Thereof SLC6A12, TST, MPST LIPG 4086/4885THRA 2858/4885THRB 1919/4885
US-20100029875-A1 COORDINATION COMPOUNDS OF THE BORON GROUP BICRA, SOD1, NBAS LIPG 2597/4885THRA 3669/4885THRB 3859/4885

“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.