SCHEMBL3781200

SCHEMBL3781200

Nc1cccc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ACHE P22303 4/20 0.44
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 1/20 0.41
KIF11 P52732 1/20 0.40
PDK2 Q15119 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BACE1 P56817 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
PABPC1 P11940 1/20 0.38
DPP4 P27487 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2597832 0.87 FABP4 (0.53) FABP4L3MBTL1ACHEPOLBESR1
SCHEMBL3786346 0.86 KIF11 (0.47) FABP4L3MBTL1ACHEPOLBALDH1A1
SCHEMBL28222652 0.83 KIF11 (0.54) FABP4L3MBTL1ACHEESR1ALDH1A1
SCHEMBL3791729 0.82 TSHR (0.47) ACHEPOLBKIF11
SCHEMBL3791451 0.82 ALDH1A1 (0.46) L3MBTL1POLBALDH1A1HSD17B10HSD11B1
SCHEMBL4392007 0.80 L3MBTL1 (0.42) FABP4L3MBTL1ACHEPOLBESR1
SCHEMBL5754263 0.79 ALDH1A1 (0.55) L3MBTL1ALDH1A1HSD17B10TDP1HSPA1A
SCHEMBL5123247 0.79 TRPA1 (0.49) FABP4L3MBTL1ESR1HSD11B1KIF11
SCHEMBL28022302 0.78 FABP4 (0.46) FABP4ESR1HSD11B1KIF11PDK2
SCHEMBL16428928 0.78 FABP4 (0.50) FABP4POLBESR1ALDH1A1HSD17B10

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 FABP4 3879/4885L3MBTL1 3838/4885ACHE 295/4885

“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.