SCHEMBL13808393

SCHEMBL13808393

Fc1ccc(OC(F)(F)c2ccc(OCOc3ccc(C(F)(F)Oc4ccc(F)cc4)c(F)c3F)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASR P41180 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PPARA Q07869 3/20 0.30
▸ PPARG P37231 2/20 0.30
▸ PPARD Q03181 2/20 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
SCHEMBL13808401 0.88 L3MBTL1 (0.39) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL13808363 0.88 BCHE (0.35) PPARAPPARGPPARD
SCHEMBL13882350 0.76 HCRTR1 (0.37) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL13808391 0.76 GAA (0.36) CASRGAA
SCHEMBL13808392 0.76 GAA (0.33) GAA
SCHEMBL13817435 0.73 TP53 (0.31) PPARAPPARGPPARD
SCHEMBL17355540 0.73 FGFR2 (0.36) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL9425594 0.71 SMN1; SMN2 (0.42) L3MBTL1GAA
SCHEMBL18079355 0.70 L3MBTL1 (0.37) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL15581199 0.70 CYP2D6 (0.37) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 — — US disclosed
US-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 — — US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 — — US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 — — 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-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MLX, FOXM1, SFXN1 CYP1A2 1995/4885CYP2D6 1772/4885CYP2C19 2320/4885

“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.

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