SCHEMBL13091059

SCHEMBL13091059

O=C(NCCC1=CCCCC1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.62
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTR3A P46098 6/20 0.53
CACNA1G O43497 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL13091102 0.87 HSD17B10 (0.70) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091071 0.81 MAPT (0.73) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091041 0.81 HTR3A (0.77) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL12793634 0.80 ALDH1A1 (0.68) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091039 0.79 HTR3A (0.78) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091055 0.79 ALDH1A1 (0.67) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091052 0.79 HTR3A (0.78) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13091144 0.78 ALDH1A1 (0.69) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL17242569 0.72 MEN1 (0.58) ESR1MAPTKDM4EHSD17B10HTT
SCHEMBL13090998 0.72 KMT2A (0.79) ESR1MAPTKDM4EHTTHPGD

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 ESR1 3313/4885MAPT 2663/4885KDM4E 3186/4885

“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.