SCHEMBL3324430

SCHEMBL3324430

OCCCOc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
SLC6A4 P31645 1/20 0.38
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL23648160 0.92 SLC6A4 (0.45) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL18586262 0.87 F2 (0.43) PTGDR2HTTKDM4EKMT2AL3MBTL1
SCHEMBL18608433 0.85 L3MBTL1 (0.38) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL3323835 0.84 L3MBTL1 (0.37) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL23648069 0.83 L3MBTL1 (0.38) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL18608786 0.83 KDM4E (0.45) SLC6A4SCN8ASCN10APTGDR2HTT
SCHEMBL30549876 0.81 KDM4E (0.52) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL4524498 0.81 KDM4E (0.52) CYP11B1CYP11B2CYP19A1SLC6A4SCN8A
SCHEMBL3324075 0.80 TDP1 (0.46) SLC6A4SCN8AHTTKDM4EKMT2A
SCHEMBL3322617 0.79 TDP1 (0.42) SCN8ASCN10APTGDR2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 CYP11B1 121/4885CYP11B2 139/4885CYP19A1 699/4885

“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.