SCHEMBL7597732

SCHEMBL7597732

O=S(=O)(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KIF11 P52732 1/20 0.37
ABCB11 O95342 1/20 0.36
EPAS1 Q99814 1/20 0.35
SRD5A2 P31213 1/20 0.35
ESR2 Q92731 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CYP26A1 O43174 1/20 0.33

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
SCHEMBL7601234 0.90 CES2 (0.41) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7599616 0.86 RXRA (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15453941 0.83 CES2 (0.43) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6584574 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL15763980 0.81 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2990470 0.80 CA1 (0.49) ALDH1A1CA1CA2CA9CYP2C19
SCHEMBL15454099 0.80 CES2 (0.41) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28741529 0.79 EPAS1 (0.41) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL3914051 0.79 MRGPRX4 (0.44) KDM4EALDH1A1CA1CA2CA9
SCHEMBL16737197 0.79 ALDH1A1 (0.61) CES2KDM4EALDH1A1HPGDHSD17B10

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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 CES2 1070/4885KDM4E 2526/4885ALDH1A1 798/4885

“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.