SCHEMBL13091095

SCHEMBL13091095

COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCCN4CCC(C)CC4)ccc3c2=O)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.82
ALDH1A1 P00352 10/20 0.79
GLA P06280 3/20 0.79
POLB P06746 1/20 0.74
KDM4E B2RXH2 8/20 0.71
GAA P10253 7/20 0.71
HSD17B10 Q99714 6/20 0.71
MAPT P10636 4/20 0.71
KMT2A Q03164 4/20 0.65
MEN1 O00255 1/20 0.65
HTT P42858 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CACNA1G O43497 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NTSR1 P30989 1/20 0.62

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
SCHEMBL13091057 0.91 TSHR (0.84) TSHRALDH1A1GLAPOLBKDM4E
SCHEMBL13091145 0.90 TSHR (1.00) TSHRALDH1A1GLAPOLBKDM4E
SCHEMBL13091048 0.85 TSHR (0.91) TSHRALDH1A1POLBKDM4EGAA
SCHEMBL13942692 0.81 ALDH1A1 (0.73) ALDH1A1GLAKDM4EGAAHSD17B10
SCHEMBL13091144 0.79 ALDH1A1 (0.69) ALDH1A1GLAKDM4EGAAHSD17B10
SCHEMBL13091072 0.78 ALDH1A1 (0.84) TSHRALDH1A1GLAKDM4EGAA
SCHEMBL13091099 0.78 ALDH1A1 (0.84) TSHRALDH1A1GLAKDM4EGAA
SCHEMBL13091151 0.76 SMN1; SMN2 (0.78) TSHRALDH1A1GLAPOLBKDM4E
SCHEMBL5011379 0.75 HTR3A (0.91) ALDH1A1GLAKDM4EGAAHSD17B10
SCHEMBL13091011 0.75 GAA (0.86) TSHRALDH1A1GLAKDM4EGAA

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 4664/4885ALDH1A1 3966/4885GLA 2400/4885

“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.