SCHEMBL12092010

SCHEMBL12092010

CCC#Cc1ccccc1O[C@@H](C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL12092013 1.00 MCHR1 (0.43) MCHR1SLC2A1MEN1LMNAKMT2A
SCHEMBL12092012 1.00 MCHR1 (0.43) MCHR1SLC2A1MEN1LMNAKMT2A
SCHEMBL12092017 0.87 CYP1A2 (0.33) MCHR1LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL12092014 0.87 CYP1A2 (0.33) MCHR1LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL12092011 0.87 CYP1A2 (0.33) MCHR1LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL14942933 0.86 MCHR1 (0.45) MCHR1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL17103224 0.79 MCHR1 (0.42) MCHR1MEN1LMNAKMT2AMTNR1A
SCHEMBL28646255 0.78 POLB (0.38) ALDH1A1
SCHEMBL31490284 0.78 MCHR1 (0.51) MCHR1SLC2A1MEN1LMNAKMT2A
SCHEMBL28352745 0.77 CA1 (0.46) MEN1KMT2AALDH1A1

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-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 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 (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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 MCHR1 6/4885SLC2A1 998/4885MEN1 73/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR MCHR1 7/4885SLC2A1 1203/4885MEN1 77/4885

“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.