SCHEMBL14925355

SCHEMBL14925355

COc1cc(C(C)=O)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.52
AKR1C2 P52895 3/20 0.52
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
PDK2 Q15119 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDE4D Q08499 1/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
S100A4 P26447 1/20 0.44
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL5786405 0.89 AKR1C3 (0.55) AKR1C3AKR1C2TRPA1TRPM8ROCK2
SCHEMBL10035005 0.88 NOTUM (0.52) AKR1C3AKR1C2TRPA1TRPM8PDK2
SCHEMBL14925354 0.82 PDK2 (0.51) AKR1C3AKR1C2PDK2ALDH1A1MAOA
SCHEMBL14925356 0.82 RXRA (0.55) MAOAMAOBSMN1; SMN2NPC1
SCHEMBL881297 0.82 LMNA (0.59) L3MBTL1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL14925368 0.81 PDK2 (0.50) AKR1C3AKR1C2TRPA1TRPM8PDK2
SCHEMBL11541429 0.81 L3MBTL1 (0.49) PDK2L3MBTL1ALDH1A1PDE4DMAPT
SCHEMBL16838797 0.81 KIF11 (0.51) AKR1C3AKR1C2L3MBTL1ALDH1A1MAPT
SCHEMBL14925362 0.79 MAOA (0.49) AKR1C3AKR1C2TRPA1PDK2ALDH1A1
SCHEMBL10035086 0.78 ALDH1A1 (0.54) AKR1C3AKR1C2ALDH1A1PDE4DMAPT

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN AKR1C3 99/4885AKR1C2 131/4885TRPA1 3302/4885

“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.