SCHEMBL12197461

SCHEMBL12197461

CCOc1ccc(C2CCC(C3CCC(C(=O)OC4CCC(c5ccc(C)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL12197476 1.00 SMN1; SMN2 (0.36) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL10091362 0.97 SMN1; SMN2 (0.38) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL14922631 0.94 SMN1; SMN2 (0.40) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL14922394 0.94 SMN1; SMN2 (0.40) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL12196524 0.93 SMN1; SMN2 (0.36) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL12196535 0.93 SMN1; SMN2 (0.36) SMN1; SMN2GLAHPGDMAPTKMT2A
SCHEMBL12196509 0.92 SCN9A (0.36) SMN1; SMN2GLAHPGDKMT2AGAA
SCHEMBL12197468 0.92 SCN9A (0.36) SMN1; SMN2GLAHPGDKMT2AGAA
SCHEMBL10091365 0.90 HPGD (0.41) SMN1; SMN2GLAHPGDKMT2AGAA
SCHEMBL14922680 0.89 SMN1; SMN2 (0.36) SMN1; SMN2GLAHPGDMAPTKMT2A

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 SMN1; SMN2 3764/4885GLA 3232/4885HPGD 4261/4885

“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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