SCHEMBL12730864

SCHEMBL12730864

N#Cc1ccc(OC(=O)c2ccc(OC(=O)C3CCC4OC4C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ ELANE P08246 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ACR P10323 1/20 0.38
▸ PARP15 Q460N3 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL12730844 0.89 POLB (0.47) POLBRXFP1HTTKMT2ASMN1; SMN2
SCHEMBL14817283 0.85 ELANE (0.45) POLBELANEALDH1A1MAPTHTT
SCHEMBL14817279 0.85 ELANE (0.45) POLBELANEALDH1A1MAPTHTT
SCHEMBL12730886 0.85 POLB (0.46) POLBELANEALDH1A1RXFP1F2
SCHEMBL12730865 0.83 MAPT (0.45) ELANEALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL12730859 0.83 SIGMAR1 (0.45) POLBALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL12730866 0.82 ELANE (0.42) POLBELANEHTTKMT2ASMN1; SMN2
SCHEMBL12730787 0.81 NPC1 (0.38) POLBELANEALDH1A1CYP1A2CYP2D6
SCHEMBL12730868 0.81 ELANE (0.40) POLBELANEALDH1A1CYP1A2MAPT
SCHEMBL12730765 0.80 NPC1 (0.38) ELANEALDH1A1CYP1A2CYP2D6MAPT

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 POLB 1480/4885ELANE 3245/4885ALDH1A1 926/4885

“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.

Send feedback