SCHEMBL12730854

SCHEMBL12730854

O=C(Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)C1CCC2OC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MMP12 P39900 1/20 0.39
▸ FASN P49327 1/20 0.39
▸ EPHX2 P34913 4/20 0.38
▸ ELANE P08246 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TPX2 Q9ULW0 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL12730866 0.90 ELANE (0.42) HTTKMT2ASMN1; SMN2TDP1EPHX2
SCHEMBL12730890 0.88 HTT (0.40) HTTKMT2ASMN1; SMN2TDP1MMP12
SCHEMBL12730855 0.81 KMT2A (0.40) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL15092031 0.81 HTT (0.61) HTTKMT2ASMN1; SMN2TDP1EPHX2
SCHEMBL12787263 0.80 HTT (0.50) HTTKMT2ASMN1; SMN2TDP1MMP12
SCHEMBL12730844 0.80 POLB (0.47) HTTKMT2ASMN1; SMN2TDP1HRH2
SCHEMBL14817249 0.80 KMT2A (0.49) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL26261372 0.78 ELANE (0.53) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL22261439 0.78 TDP1 (0.44) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL12730879 0.78 HRH3 (0.41) MMP12EPHX2HSD11B1MGLLFFAR4

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-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

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 HTT 3389/4885KMT2A 2708/4885SMN1; SMN2 3851/4885

“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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