SCHEMBL5863151

SCHEMBL5863151

CCOC(=O)c1ccccc1-c1ccccc1CSCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL5863115 0.84 SMN1; SMN2 (0.49) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL5863080 0.83 CA12 (0.44) ALDH1A1MAPTMEN1CYP1A2CYP3A4
SCHEMBL5863068 0.83 TSHR (0.50) TSHRALDH1A1HSD17B10MAPTMEN1
Diethyl Phthalate SCHEMBL27744327 0.81 TSHR (0.72) TSHRALDH1A1HSD17B10CYP3A4CDC25B
SCHEMBL28754640 0.81 TSHR (0.57) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL3683272 0.80 TSHR (0.80) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL29617021 0.80 TSHR (0.80) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL5863364 0.79 TSHR (0.46) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL5863108 0.79 CYP4F2 (0.46) ALDH1A1MAPTNPC1RAB9A
SCHEMBL5863132 0.77 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTMEN1

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 107/4885ALDH1A1 1500/4885HSD17B10 892/4885

“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.