SCHEMBL4418474

SCHEMBL4418474

C=C(F)c1sccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ERN1 O75460 5/20 0.35
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL1493596 0.75 PTPN2 (0.44) CYP2A6MEN1LMNAKMT2A
SCHEMBL2083549 0.73 ALDH1A1 (0.39) CYP2A6ERN1LMNAKMT2ATRIM24
SCHEMBL15651775 0.73 BCAT2 (0.47) CYP2A6ERN1MEN1KMT2A
SCHEMBL5187882 0.69 KMT2A (0.51) MEN1LMNAKMT2A
SCHEMBL4113090 0.68 MEN1 (0.31) MEN1KMT2A
SCHEMBL9444120 0.67 CES2 (0.43) ERN1MEN1KMT2A
SCHEMBL21580184 0.67
SCHEMBL1474805 0.67
SCHEMBL1419542 0.66 CYP2A6 (0.45) CYP2A6ERN1MEN1LMNATHRB
SCHEMBL2652907 0.66 ALDH1A1 (0.47) ERN1MEN1LMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054667-A1 Transition metal catalyzed cross-coupling of 1-halo-1-haloalkene compounds REPLIDYNE, INC. (US) 2009-02-26 US disclosed
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds REPLIDYNE, INC. (US) 2008-08-14 US disclosed
WO-2007021693-A2 TRANSITION METAL CATALYZED CROSS-COUPLING OF 1-HALO-1-HALOALKENE COMPOUNDS REPLIDYNE, INC. (US) 2007-02-22 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 (2 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-20090054667-A1 Transition metal catalyzed cross-coupling of 1-halo-1-haloalkene compounds TDO2, TALDO1, NAT1 CYP2A6 201/4885ERN1 1814/4885MEN1 2653/4885
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds TDO2, TALDO1, NAT1 CYP2A6 201/4885ERN1 1814/4885MEN1 2653/4885

“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.