SCHEMBL12730664

SCHEMBL12730664

O=C(Oc1ccc(OCCCCCCOCC2CCC3OC3C2)cc1)c1ccc(OCCCOCC2CCC3OC3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL12730657 0.99 NPC1 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730659 0.99 NPC1 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730687 0.98 LMNA (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730655 0.98 LMNA (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730669 0.98 LMNA (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730717 0.96 NPC1 (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730766 0.95 PARP15 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730774 0.95 PARP15 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730700 0.94 NPC1 (0.41) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12730697 0.94 NPC1 (0.41) NPC1LMNANFKB1NFKB2RELA

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 NPC1 3199/4885LMNA 2223/4885NFKB1 3418/4885

“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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