SCHEMBL2808333

SCHEMBL2808333

CC1(C)OB(c2ccc(Oc3cc(F)ccc3Cl)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.51
LIPG Q9Y5X9 8/20 0.51
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTR2A P28223 8/20 0.40
SLC6A4 P31645 8/20 0.40
KCNH2 Q12809 8/20 0.40
SNCA P37840 1/20 0.36
EGFR P00533 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL13857889 0.86 LPL (0.54) LPLLIPGCA1CA2CA9
SCHEMBL4380517 0.83 LPL (0.54) LPLLIPGCA1CA2CA9
SCHEMBL17423585 0.83 LPL (0.50) LPLLIPGCA1CA2CA9
SCHEMBL13863262 0.82 LPL (0.53) LPLLIPGCA1CA2CA9
SCHEMBL25981268 0.81 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL368960 0.81 LPL (0.71) LPLLIPGCA1CA2CA9
SCHEMBL14972496 0.80 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL14746587 0.78 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL4378064 0.77 LPL (0.53) LPLLIPGCA1CA2CA9
SCHEMBL13860126 0.77 LPL (0.56) LPLLIPGCA1CA2CA9

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-20100249192-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-09-30 US disclosed
EP-2231649-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-09-29 EP disclosed
WO-2009073973-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-06-18 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-20100249192-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 LPL 242/4885LIPG 119/4885CA1 4857/4885

“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.