SCHEMBL12730866

SCHEMBL12730866

O=C(Oc1ccc(OC(F)(F)F)cc1)c1ccc(OC(=O)C2CCC3OC3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ EPHX2 P34913 6/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TRPV1 Q8NER1 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL12730854 0.90 HTT (0.41) ELANEHSD11B1MGLLKMT2AHTT
SCHEMBL14817279 0.86 ELANE (0.45) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL14817283 0.86 ELANE (0.45) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12730890 0.86 HTT (0.40) ELANEHSD11B1MGLLKMT2AHTT
SCHEMBL12730868 0.84 ELANE (0.40) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12730864 0.82 POLB (0.44) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL12730865 0.81 MAPT (0.45) ELANEKMT2ASMN1; SMN2
SCHEMBL12730862 0.81 PARP15 (0.43) HSD11B1MGLLTDP1KDM2BEPHX2
SCHEMBL15250512 0.79 ELANE (0.37) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL15092031 0.79 HTT (0.61) ELANEHSD11B1MGLLKMT2AHTT

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-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — 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 (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-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 ELANE 3245/4885HSD11B1 2112/4885MGLL 4429/4885

“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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