SCHEMBL6676308

SCHEMBL6676308

O=C(O)[C@H](O)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 2/20 0.37
P2RX7 Q99572 1/20 0.37
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
POLQ O75417 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6676317 1.00 ACP3 (0.41) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL6680423 1.00 ACP3 (0.41) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL3682259 0.84 ACP3 (0.41) ACP3CNR2LMNAPPARGP2RX7
SCHEMBL6679044 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL736845 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL5156128 0.84 ACP3 (0.51) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL23972302 0.83 IDO1 (0.48) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL23972340 0.81 TAS2R14 (0.46) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL23973528 0.81 P2RX7 (0.54) ACP3CNR2LMNAMAPK1PPARG
SCHEMBL8587546 0.79 CTSS (0.38) ACP3CNR2PPARGP2RX7IDO1

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-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-09 US disclosed
WO-2004037760-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-05-06 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-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives ADH1A, ADH1C, ADH5 ACP3 2546/4885CNR2 342/4885LMNA 2286/4885

“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.