SCHEMBL12366244

SCHEMBL12366244

COC(=O)c1ccc2c(c1)C(c1cc(Cl)ccc1C)=CC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDH1 O75874 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
PLAU P00749 1/20 0.35
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL12366214 0.91 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366215 0.90 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366033 0.89 MAPT (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366191 0.87 SLC6A3 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366276 0.87 TDP1 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366248 0.86 MAPK14 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366043 0.85 MAPT (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12365205 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366163 0.81 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL12366625 0.81 HTR2B (0.46)

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 1 patent. 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

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 MEN1 4480/4885KMT2A 2505/4885ALDH1A1 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.