SCHEMBL5863068

SCHEMBL5863068

CCOC(=O)c1ccccc1-c1ccc(CSCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
ERN1 O75460 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL5863364 0.88 TSHR (0.46) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL5863181 0.86 SMN1; SMN2 (0.47) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL5863151 0.83 TSHR (0.51) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL8873262 0.82 TSHR (0.61) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL5863054 0.81 CA2 (0.49) TSHRALDH1A1MEN1CYP1A2CYP3A4
Diethyl Phthalate SCHEMBL27744327 0.80 TSHR (0.72) TSHRALDH1A1HSD17B10CYP3A4LMNA
SCHEMBL5863187 0.80 TSHR (0.57) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL8220001 0.80 TSHR (0.57) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL8872328 0.80 TSHR (0.57) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL3230316 0.79 TSHR (0.65) TSHRSCN1ASCN2ASCN3AALDH1A1

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 TSHR 107/4885SCN1A 1284/4885SCN2A 1048/4885

“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.