SCHEMBL13110604

SCHEMBL13110604

CCCC1CCC(C2CCC(COc3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL11312939 0.95 PARP15 (0.46) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL11312915 0.95 PARP15 (0.46) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL11316847 0.91 PARP15 (0.43) PARP15PARP10PARP2TDP1
SCHEMBL11316856 0.91 PARP15 (0.43) PARP15PARP10PARP2TDP1
SCHEMBL7752494 0.88 PARP15 (0.43) PARP15PARP10PARP2TDP1
SCHEMBL8078580 0.86 CARM1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL8528819 0.86 CARM1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL8528814 0.86 CARM1 (0.47) PARP15PARP10PARP2TDP1
SCHEMBL9775621 0.85 CYP2C9 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL9966867 0.85 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820251-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-10-26 US disclosed
US-7820251-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-10-26 US disclosed
US-7648743-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-19 US disclosed
US-7648743-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-19 US disclosed
US-20100009099-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-14 US disclosed
US-20100009099-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-14 US disclosed
US-20090123666-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-05-14 US disclosed
US-20090123666-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-05-14 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 (2 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-20090123666-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME FZD7, PYCARD, DVL1 PARP15 1456/4885PARP10 1746/4885PARP2 2545/4885
US-20100009099-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME FZD7, PYCARD, DVL1 PARP15 1456/4885PARP10 1746/4885PARP2 2545/4885

“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.