SCHEMBL12730859

SCHEMBL12730859

N#Cc1ccc(OC(=O)c2ccc(OCC3CCC4OC4C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.45
▸ PARP15 Q460N3 4/20 0.44
▸ PARP10 Q53GL7 4/20 0.44
▸ PARP2 Q9UGN5 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL12730731 0.91 ALDH1A1 (0.43) ALDH1A1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL14817289 0.88 PARP15 (0.46) PARP15PARP10PARP2CYP1A2CYP2D6
SCHEMBL12787696 0.87 MAPT (0.46) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730858 0.86 LMNA (0.50) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730774 0.86 PARP15 (0.44) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730766 0.86 PARP15 (0.44) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730862 0.85 PARP15 (0.43) PARP15PARP10PARP2
SCHEMBL16172290 0.85 PARP15 (0.41) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730656 0.84 MAPT (0.40) PARP15PARP10PARP2ALDH1A1MAPT
SCHEMBL12730687 0.84 LMNA (0.43) PARP15PARP10PARP2ALDH1A1MAPT

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 SIGMAR1 1939/4885PARP15 3114/4885PARP10 1455/4885

“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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