SCHEMBL13091048

SCHEMBL13091048

COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCN4CCOCC4)ccc3c2=O)cc1OC

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.91
MAPT P10636 3/20 0.74
ALDH1A1 P00352 6/20 0.71
HSD17B10 Q99714 4/20 0.71
POLB P06746 1/20 0.70
KDM4E B2RXH2 3/20 0.69
GAA P10253 3/20 0.69
HTR3A P46098 5/20 0.68
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
RECQL P46063 1/20 0.63
MAPK1 P28482 2/20 0.61
TP53 P04637 2/20 0.60
THRB P10828 1/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL13091145 0.95 TSHR (1.00) TSHRMAPTALDH1A1HSD17B10POLB
SCHEMBL13091057 0.87 TSHR (0.84) TSHRMAPTALDH1A1HSD17B10POLB
SCHEMBL13091095 0.85 TSHR (0.82) TSHRMAPTALDH1A1HSD17B10POLB
SCHEMBL13091011 0.80 GAA (0.86) TSHRMAPTALDH1A1HSD17B10KDM4E
SCHEMBL13943783 0.79 HTR3A (0.81) TSHRMAPTALDH1A1HSD17B10KDM4E
SCHEMBL13091073 0.79 ALDH1A1 (0.82) MAPTALDH1A1HSD17B10KDM4EGAA
SCHEMBL13091075 0.78 ALDH1A1 (0.84) MAPTALDH1A1HSD17B10KDM4EGAA
SCHEMBL13091151 0.78 SMN1; SMN2 (0.78) TSHRMAPTALDH1A1HSD17B10POLB
SCHEMBL13091041 0.77 HTR3A (0.77) TSHRMAPTALDH1A1HSD17B10KDM4E
SCHEMBL8227816 0.76 HTR3A (1.00) TSHRMAPTALDH1A1HSD17B10KDM4E

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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD TSHR 4664/4885MAPT 2663/4885ALDH1A1 3966/4885

“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.