SCHEMBL28177887

SCHEMBL28177887

Cc1cc(OC(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.51
GPR3 P46089 4/20 0.49
ESR2 Q92731 1/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FFAR4 Q5NUL3 1/20 0.45
METAP2 P50579 1/20 0.44
CHRM5 P08912 3/20 0.44
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 3/20 0.43
CHRM1 P11229 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL14126262 0.81 AKR1C3 (0.54) PPARGPPARAFFAR4
SCHEMBL16429063 0.81 ALOX5 (0.55) GPR3ESR2FFAR4METAP2CHRM5
SCHEMBL27907854 0.81 ALOX5AP (0.51) GPR3FFAR4METAP2CHRM5CYP1A2
SCHEMBL16727887 0.79 GPR3 (0.55) SCN5AGPR3ESR2FFAR4KIF11
SCHEMBL27926260 0.79 GPR3 (0.49) SCN5AGPR3FFAR4METAP2CHRM5
SCHEMBL16099410 0.79 GPR3 (0.49) SCN5AGPR3METAP2CHRM5CYP1A2
SCHEMBL27908024 0.79 GPR3 (0.49) GPR3FFAR4METAP2CHRM5CHRM1
SCHEMBL5535236 0.79 S1PR1 (0.44) SCN5AGPR3PPARGPPARAFFAR4
SCHEMBL30832998 0.79 METAP2 (0.43) SCN5AGPR3PPARGPPARAFFAR4
SCHEMBL22621242 0.79 SCN5A (0.48) SCN5AGPR3FFAR4CHRM5CYP1A2

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-11905230-B2 Phenoxyacetic acid derivatives, preparation method thereof and use thereof as medicament CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-02-20 US disclosed
CN-107231794-A Dianhydrogalactitol for use in combination with radiation in the treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2017-10-03 CN 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-11905230-B2 Phenoxyacetic acid derivatives, preparation method thereof and use thereof as medicament SLC5A1, PYGL, GPR119 SCN5A 1380/4885GPR3 2348/4885ESR2 3372/4885

“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.