SCHEMBL6355448

SCHEMBL6355448

COc1ccc(C2(C=O)CC2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL6360933 0.95 MEN1 (0.51) KMT2AMEN1HTR1AADRA1DADRA1A
SCHEMBL6354703 0.85 ALDH1A1 (0.46) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL6354708 0.85 ALDH1A1 (0.46) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL6354712 0.85 MAPK1 (0.46) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL21667915 0.83 SMN1; SMN2 (0.47) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL6351319 0.82 PDE4B (0.59) HDAC1HDAC6KMT2AMEN1PDE4A
SCHEMBL28258075 0.80 MAPK1 (0.44) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL1465575 0.80 SMPD1 (0.55) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL13222774 0.80 BCHE (0.51) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL13017315 0.79 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6KMT2A

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-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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 (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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 SMPD1 2296/4885HDAC1 1122/4885HDAC8 2117/4885

“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.