SCHEMBL5863077

SCHEMBL5863077

CCOC(=O)c1ccccc1-c1cccc(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 3/20 0.50
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ERN1 O75460 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL27258779 0.86 CYP4F2 (0.58) CYP4F2CYP4A11TSHRALDH1A1SCN1A
SCHEMBL5863187 0.85 TSHR (0.57) CYP4F2CYP4A11TSHRALDH1A1SCN1A
SCHEMBL3947570 0.83 TSHR (0.59) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL27686775 0.83 TSHR (0.59) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL18280658 0.83 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1SCN1ASCN2A
SCHEMBL3234150 0.82 CYP4F2 (0.62) CYP4F2CYP4A11TSHRALDH1A1SCN1A
SCHEMBL396552 0.81 TSHR (0.69) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL5863364 0.80 TSHR (0.46) CYP4F2CYP4A11TSHRALDH1A1SCN1A
SCHEMBL9341892 0.80 LTB4R2 (0.49) CYP4F2CYP4A11ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7710797 0.80 ALDH1A1 (0.57) TSHRALDH1A1SCN1ASCN2ASCN3A

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 CYP4F2 3158/4885CYP4A11 1583/4885TSHR 107/4885

“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.