SCHEMBL3324325

SCHEMBL3324325

Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.51
▸ THRA P10827 3/20 0.46
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ SLC6A4 P31645 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL3480641 0.83 ALOX15 (0.54) THRBTHRAALOX15ALOX12HSD17B3
SCHEMBL8635974 0.81 ESRRA (0.46) THRBTHRAPDE4APDE4BPDE4C
SCHEMBL31360352 0.81 THRB (0.65) THRBRAB9AL3MBTL1
SCHEMBL27627107 0.80 SOS1 (0.47) THRBTHRAPDE4APDE4BPDE4C
SCHEMBL9729643 0.80 MEN1 (0.58) THRBTHRAALOX15
SCHEMBL9157547 0.79 THRB (0.47) THRBPDE4APDE4BPDE4CPDE4D
SCHEMBL1290586 0.79 ALOX15 (0.55) CYP1A1CYP1B1ALOX15ALOX12NQO2
SCHEMBL594852 0.79 SLC6A4 (0.45) THRBTHRAPDE4APDE4BPDE4C
SCHEMBL8845134 0.78 LTA4H (0.54) THRBTHRAALOX15CA1CA2
SCHEMBL12732563 0.77 SLC6A4 (0.43) THRBTHRAPDE4APDE4BPDE4C

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 — — US disclosed
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
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
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 — — 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 THRB 2075/4885THRA 2207/4885PDE4A 4526/4885

“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.

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