SCHEMBL12730755

SCHEMBL12730755

O=C(Oc1ccc(OCCCCOCC2CCC3OC3C2)cc1)C1CCC2OC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PARP15 Q460N3 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ S1PR5 Q9H228 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ LSS P48449 1/20 0.32

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
SCHEMBL12730706 0.96 HTT (0.42) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL12730806 0.96 HRH3 (0.37) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL12730787 0.94 NPC1 (0.38) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL12730818 0.93 HTT (0.36) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL12730757 0.87 TSHR (0.41) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL12730758 0.86 TSHR (0.40) HTTKMT2ASMN1; SMN2TDP1ELANE
SCHEMBL12730687 0.85 LMNA (0.43) HTTKMT2ASMN1; SMN2PARP15PARP10
SCHEMBL12730669 0.85 LMNA (0.43) HTTKMT2ASMN1; SMN2PARP15PARP10
SCHEMBL12730655 0.85 LMNA (0.43) HTTKMT2ASMN1; SMN2PARP15PARP10
SCHEMBL12730798 0.84 TSHR (0.38) 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 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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