SCHEMBL6907598

SCHEMBL6907598

O=C(O)CC(=O)Oc1cc(F)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ACLY P53396 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
KMT2A Q03164 2/20 0.32

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
SCHEMBL6907595 0.90 CYP4F2 (0.37) FFAR1SLC1A3SLC1A2SLC1A1CYP4F2
SCHEMBL3176334 0.86 HDAC1 (0.33) FFAR1SLC1A3SLC1A2SLC1A1CYP4F2
SCHEMBL27769102 0.83 MGAM (0.40) FFAR1CYP4F2CYP4A11LMNAMAPK1
SCHEMBL2723041 0.82 TRPV4 (0.39) FFAR1MRGPRX4
SCHEMBL27917198 0.82 CYP4F2 (0.41) CYP4F2CYP4A11LMNAMAPK1HTT
SCHEMBL2729260 0.81 MEN1 (0.39) LMNAHTTKMT2AKDM4EMEN1
SCHEMBL27962302 0.80 PKM (0.45) MAPK1KMT2AKDM4EMEN1MAPT
SCHEMBL10181392 0.78 ALOX15 (0.45) CYP4F2CYP4A11LMNAMAPK1HTT
SCHEMBL28489058 0.78 CYP4F2 (0.36) CYP4F2CYP4A11HTTGABRA1GABRG2
SCHEMBL6452278 0.77 CES2 (0.40) FFAR1ACLY

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-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids ARMSTRONG JOSEPH D (US) 2004-04-08 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-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids PCCA, PAH, PFAS FFAR1 1691/4885SLC1A3 171/4885SLC1A2 123/4885

“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.