SCHEMBL6904802

SCHEMBL6904802

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL3425384 0.80 RIPK1 (0.38) RIPK1
SCHEMBL156656 0.78 MAOB (0.38) LMNARAB9ARIPK1
SCHEMBL1641896 0.77 ALDH1A1 (0.44) LMNAMAPK1HTT
SCHEMBL2294577 0.75 HDAC1 (0.33)
SCHEMBL7490527 0.74 TSHR (0.33) PTPN1
SCHEMBL10181509 0.73 EPHX2 (0.35) CYP4F2CYP4A11LMNAMAPK1HTT
SCHEMBL10181392 0.72 ALOX15 (0.45) CYP4F2CYP4A11LMNAMAPK1HTT
SCHEMBL2297082 0.72 HDAC1 (0.35) PRSS1TMPRSS15LMNARAB9A
SCHEMBL10841933 0.71 CTNNB1 (0.33) PTPN1RIPK1
SCHEMBL7854576 0.71 L3MBTL1 (0.40) GABRA1

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-20040068141-A1 Process for the synthesis of trifluorophenylacetic acids ARMSTRONG JOSEPH D (US) 2004-04-08 US claimed
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 PTPN1 1118/4885CYP4F2 17/4885CYP4A11 302/4885

“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.