SCHEMBL6416757

SCHEMBL6416757

COCCN1C(=O)c2ccccc2C(C(=O)O)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MDM2 Q00987 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6412385 0.88 ALDH1A1 (0.74) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6414939 0.88 ALDH1A1 (0.74) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6414214 0.85 KDM4E (0.59) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6412758 0.85 ALDH1A1 (0.56) KDM4EMAPTALDH1A1HTTTSHR
SCHEMBL6410233 0.83 FFAR1 (0.61) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6410237 0.83 FFAR1 (0.61) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6417311 0.82 ALDH1A1 (0.66) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6413407 0.82 ALDH1A1 (0.66) FFAR1KDM4EMAPTALDH1A1HTT
SCHEMBL6413484 0.80 FFAR1 (0.54) FFAR1KDM4EMAPTALDH1A1NPSR1
SCHEMBL6418628 0.80 FFAR1 (0.54) FFAR1KDM4EMAPTALDH1A1NPSR1

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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD FFAR1 3873/4885KDM4E 2355/4885MAPT 3291/4885

“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.