SCHEMBL8209904

SCHEMBL8209904

CC(C)(C)OC(=O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RY1 P47900 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
S1PR3 Q99500 1/20 0.32
CFTR P13569 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SCN9A Q15858 3/20 0.31
FPR2 P25090 2/20 0.31
AAK1 Q2M2I8 2/20 0.31

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
SCHEMBL3752012 0.87 ALDH1A1 (0.43) ALDH1A1L3MBTL1P2RY1DHODH
SCHEMBL13053997 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1NR1H2NR1H3CFTR
SCHEMBL13053995 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1NR1H2NR1H3CFTR
SCHEMBL3754265 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTDHODH
SCHEMBL3757232 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1SCN9A
SCHEMBL8215300 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1SCN9AAAK1
SCHEMBL3759878 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL8202544 0.69 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSCN9A
SCHEMBL3752343 0.69 GPBAR1 (0.36) ALDH1A1L3MBTL1SCN9A
SCHEMBL833331 0.68 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTRXFP1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
WO-2008031501-A2 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885L3MBTL1 2518/4885P2RY1 262/4885

“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.