SCHEMBL13063136

SCHEMBL13063136

COc1cc(C)c(SN(C)CCO)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CRHR1 P34998 1/20 0.31
PTPN1 P18031 1/20 0.30
BDKRB1 P46663 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
SCHEMBL13063123 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4HPGDMEN1KMT2A
SCHEMBL13063115 0.82 ABCB1 (0.32) ALDH1A1MEN1KMT2ACRHR1
SCHEMBL12046796 0.81 HTT (0.44) LMNAALDH1A1CYP3A4HPGDMEN1
SCHEMBL13063372 0.78 KEAP1 (0.41) LMNACYP3A4HPGDMEN1KMT2A
SCHEMBL12012115 0.77 BDKRB1 (0.40) LMNAMEN1KMT2ATSHRBDKRB1
SCHEMBL13063117 0.76 CYP3A4 (0.40) LMNAALDH1A1CYP3A4HPGDMEN1
SCHEMBL13063122 0.76 BDKRB1 (0.33) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL13063141 0.76 KDM4E (0.37) LMNAALDH1A1CYP3A4HPGDMEN1
SCHEMBL13063362 0.75 TDP1 (0.38) CYP3A4HPGDMEN1KMT2ATSHR
SCHEMBL13063377 0.72

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 LMNA 3483/4885ALDH1A1 279/4885CYP3A4 65/4885

“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.