SCHEMBL12730890

SCHEMBL12730890

O=C(Oc1ccc(OC(F)(F)F)cc1)C1CCC(OC(=O)C2CCC3OC3C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ELANE P08246 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ EPHX2 P34913 9/20 0.36
▸ FAAH O00519 2/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ AADAC P22760 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33

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 0.88 HTT (0.41) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL12730879 0.88 HRH3 (0.41) POLBHSD11B1EPHX2FAAHMGLL
SCHEMBL12730866 0.86 ELANE (0.42) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL14817298 0.86 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL12730886 0.82 POLB (0.46) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL15092031 0.80 HTT (0.61) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL14817295 0.78 ELANE (0.41) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL12730745 0.77 POLB (0.35) HTTKMT2ASMN1; SMN2TDP1POLB
SCHEMBL12385380 0.77 PPM1B (0.35) —
SCHEMBL12730818 0.77 HTT (0.36) HTTKMT2ASMN1; SMN2TDP1ELANE

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 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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