SCHEMBL5863115

SCHEMBL5863115

CCOC(=O)c1ccccc1-c1ccccc1CSCCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 3/20 0.46
MAPK10 P53779 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5863144 0.85 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5863181 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMAPK10ALDH1A1MEN1
SCHEMBL5863074 0.84 MAPT (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL5863151 0.84 TSHR (0.51) TSHRMAPK10ALDH1A1MEN1KMT2A
SCHEMBL5863066 0.81 MEN1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5863103 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TSHRMAPK10ALDH1A1MEN1
SCHEMBL28754640 0.76 TSHR (0.57) TSHRMAPK10ALDH1A1MEN1KMT2A
Oxalic Acid SCHEMBL5863050 0.75 KCNA5 (0.43) SMN1; SMN2ALDH1A1KMT2AKDM4ENPC1
SCHEMBL5863067 0.75 HTT (0.44) SMN1; SMN2ALDH1A1KMT2AKDM4ENPC1
SCHEMBL29617021 0.75 TSHR (0.80) TSHRMAPK10ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R SMN1; SMN2 1571/4885TSHR 107/4885MAPK10 1497/4885

“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.