SCHEMBL12730862

SCHEMBL12730862

O=C(Oc1ccc(OCC2CCC3OC3C2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 4/20 0.43
▸ PARP10 Q53GL7 4/20 0.43
▸ PARP2 Q9UGN5 2/20 0.43
▸ PTGER2 P43116 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ NR1D1 P20393 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ NR1H4 Q96RI1 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
SCHEMBL17431012 0.93 PTGIR (0.37) PARP15PARP10PARP2PTGER2TDP1
SCHEMBL14817289 0.87 PARP15 (0.46) PARP15PARP10PARP2DRD2DRD4
SCHEMBL12787696 0.86 MAPT (0.46) PARP15PARP10PARP2TDP1DRD2
SCHEMBL12730858 0.85 LMNA (0.50) PARP15PARP10PARP2
SCHEMBL12730859 0.85 SIGMAR1 (0.45) PARP15PARP10PARP2
SCHEMBL12730766 0.85 PARP15 (0.44) PARP15PARP10PARP2DRD2DRD4
SCHEMBL12730774 0.85 PARP15 (0.44) PARP15PARP10PARP2DRD2DRD4
SCHEMBL16172290 0.84 PARP15 (0.41) PARP15PARP10PARP2DRD2DRD4
SCHEMBL12730860 0.83 PARP10 (0.42) PARP15PARP10PARP2DRD2DRD4
SCHEMBL12730656 0.83 MAPT (0.40) PARP15PARP10PARP2

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 PARP15 3114/4885PARP10 1455/4885PARP2 509/4885

“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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