SCHEMBL12366163

SCHEMBL12366163

COC(=O)c1ccc2c(c1)C(c1ccccc1Cl)=CC(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK14 Q16539 3/20 0.41
PDK2 Q15119 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL12366189 0.92 SLC6A3 (0.46) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL12366140 0.89 KLKB1 (0.40) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL12366195 0.88 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL12366191 0.87 SLC6A3 (0.46) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL12366215 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL12365205 0.87 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL12389982 0.87 HCRTR1 (0.43) KMT2AMEN1MAPTALOX5PDK2
SCHEMBL12366174 0.86 TDP1 (0.41) KMT2AMEN1ALDH1A1ALOX5TSHR
SCHEMBL12365856 0.86 NPC1 (0.45) KMT2AMEN1ALDH1A1MAPTALOX5
SCHEMBL12389879 0.86 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTTP53

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KMT2A 2505/4885MEN1 4480/4885ALDH1A1 934/4885

“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.