SCHEMBL12909375

SCHEMBL12909375

CC=Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
TRPM8 Q7Z2W7 3/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTR1D P28221 5/20 0.57
LTA4H P09960 4/20 0.56
PLA2G2A P14555 4/20 0.56
SLC6A4 P31645 1/20 0.55
ACHE P22303 1/20 0.54
IMPDH2 P12268 1/20 0.52
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
HTR1A P08908 2/20 0.48
HTR1B P28222 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10501049 0.85 MEN1 (0.59) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL10501064 0.85 MEN1 (0.59) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL1791105 0.84 MEN1 (0.60) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL15325653 0.83 MEN1 (0.58) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL15323122 0.83 MEN1 (0.58) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL21701191 0.81 MEN1 (0.64) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL9022913 0.81 ALDH1A1 (0.55) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL12614535 0.80 TRPM8 (0.61) MEN1KMT2ATRPM8MAPTKDM4E
SCHEMBL2004881 0.80 TRPM8 (0.64) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL13947142 0.78 ALDH1A1 (0.69) MEN1KMT2AGAATRPM8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 US disclosed
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 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 (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-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG MEN1 1414/4885KMT2A 2644/4885GAA 2077/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE MEN1 1930/4885KMT2A 3656/4885GAA 1907/4885

“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.