SCHEMBL13063362

SCHEMBL13063362

COc1cc(C)c(SN(C)CCOC(C)C(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
BDKRB1 P46663 3/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL13063135 0.85 CYP3A4 (0.32) CYP3A4HPGD
SCHEMBL12012115 0.80 BDKRB1 (0.40) KMT2AMEN1TSHRBDKRB1HTT
SCHEMBL12046796 0.79 HTT (0.44) TDP1KMT2AMEN1TSHRCYP3A4
SCHEMBL13063415 0.78 MEN1 (0.34) TDP1KMT2AMEN1BDKRB1HTT
SCHEMBL3440233 0.77 BDKRB1 (0.52) BDKRB1
SCHEMBL13063372 0.76 KEAP1 (0.41) KMT2AMEN1TSHRCYP3A4HPGD
SCHEMBL13063136 0.75 LMNA (0.35) KMT2AMEN1TSHRCYP3A4HPGD
SCHEMBL13063122 0.74 BDKRB1 (0.33) KMT2AMEN1TSHRBDKRB1POLB
SCHEMBL13063123 0.72 ALDH1A1 (0.32) KMT2AMEN1CYP3A4HPGDPOLB
SCHEMBL13063117 0.72 CYP3A4 (0.40) KMT2AMEN1TSHRCYP3A4HPGD

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-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 TDP1 2189/4885KMT2A 4086/4885MEN1 434/4885

“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.