SCHEMBL13057060

SCHEMBL13057060

FC(F)(F)c1cc(C(F)(F)F)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.45
▸ SCN9A Q15858 2/20 0.44
▸ AR P10275 2/20 0.42
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TRPA1 O75762 3/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL13056241 0.90 KIF11 (0.40) HSD11B1SCN9AARALDH1A1BACE1
SCHEMBL12999263 0.85 TRPA1 (0.44) HSD11B1SCN9AARAKR1C3AKR1C2
SCHEMBL13057730 0.84 AR (0.47) HSD11B1SCN9AARALDH1A1HPGD
SCHEMBL13057058 0.82 NPY5R (0.54) SCN9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13056314 0.82 AR (0.51) HSD11B1SCN9AARFFAR4ALDH1A1
SCHEMBL5109985 0.82 HSD11B1 (0.51) HSD11B1SCN9AARAKR1C3AKR1C2
SCHEMBL163729 0.82 HSD11B1 (0.55) HSD11B1SCN9AARFFAR4ALDH1A1
SCHEMBL13056284 0.81 TRPA1 (0.51) HSD11B1SCN9AARAKR1C3AKR1C2
SCHEMBL29143031 0.80 GLA (0.43) HSD11B1SCN9AARALDH1A1HPGD
Water SCHEMBL7091891 0.80 AR (0.55) HSD11B1SCN9AARFFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY 2010-12-09 — — US disclosed
EP-2236485-A1 ORGANIC MATERIAL CONTAINING OLIGOPHENYLENE SKELETON AND LIGHT-EMITTING DEVICE USING THE SAME National University Corporation Nagoya University (JP) 2010-10-06 — — EP 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-20100308313-A1 Organic Material Containing Oligophenylene Skeleton and Light-Emitting Device Using the Same BMP2, SOST, BMP4 HSD11B1 4044/4885SCN9A 2897/4885AR 3805/4885

“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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