SCHEMBL4113290

SCHEMBL4113290

C=C(F)c1cc(Br)cc(C(OC)OC)c1OCC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31

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
SCHEMBL4108688 0.74 ALDH1A1 (0.45) THRB
SCHEMBL4113095 0.74 BPTF (0.37) THRB
SCHEMBL11264823 0.63 GABRA1 (0.50) THRB
SCHEMBL29915097 0.62 GPR35 (0.36)
SCHEMBL27002510 0.62 GPR35 (0.36)
SCHEMBL3800127 0.61 MAPT (0.45) THRB
SCHEMBL3986078 0.61 LMNA (0.43) THRB
SCHEMBL4354925 0.60 THRB (0.55) THRB
SCHEMBL14609815 0.60 LMNA (0.39)
SCHEMBL31035737 0.60 GABRA1 (0.32)

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 6 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-20090054667-A1 Transition metal catalyzed cross-coupling of 1-halo-1-haloalkene compounds REPLIDYNE, INC. (US) 2009-02-26 US disclosed
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
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds REPLIDYNE, INC. (US) 2008-08-14 US disclosed
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds REPLIDYNE, INC. (US) 2008-08-14 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 (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 THRB 2821/4885
US-20080194842-A1 Transition Metal Catalyzed Cross-Coupling Of 1-Halo-1-Haloalkene Compounds TDO2, TALDO1, NAT1 THRB 2821/4885

“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.