SCHEMBL6680302

SCHEMBL6680302

O=C(O)[C@@H](O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C3 P42330 12/20 0.43
AKR1C2 P52895 12/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL6675632 1.00 LMNA (0.45) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL6675636 1.00 LMNA (0.45) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL30811107 0.86 BLM (0.53) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL28587727 0.86 BLM (0.53) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL28587728 0.86 BLM (0.53) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL30428628 0.80 AKR1C3 (0.64) LMNATSHRAKR1C3AKR1C2
SCHEMBL6679457 0.75 CES2 (0.51) RXRARXRBRXRGCES2CES1
SCHEMBL6679460 0.75 CES2 (0.51) RXRARXRBRXRGCES2CES1
SCHEMBL6701810 0.75 CES2 (0.51) RXRARXRBRXRGCES2CES1
SCHEMBL5609726 0.75 UGT2B7 (0.44) AKR1C3AKR1C2RXRARXRBRXRG

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 LMNA 2286/4885MAPK1 234/4885BLM 4579/4885

“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.