SCHEMBL17548007

SCHEMBL17548007

Cc1c(F)cc(OCC2CCC(C)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
HPGD P15428 1/20 0.40
SCN9A Q15858 4/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KAT6A Q92794 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4D Q08499 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
SCHEMBL14444655 0.95 PARP10 (0.38) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL16490706 0.88 PARP10 (0.41) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL15181006 0.84 PARP10 (0.39) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL17548060 0.83 BACE1 (0.35) PARP10PARP15HPGDSCN9APDE2A
SCHEMBL17547988 0.83 PARP10 (0.47) PARP10PARP15HPGDSCN9A
SCHEMBL31276 0.83 PARP10 (0.38) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL10014161 0.80 HPGD (0.39) PARP10PARP15HPGDSCN9A
SCHEMBL16590846 0.80 PPARD (0.48) PARP10PARP15HPGDSCN9A
SCHEMBL17548019 0.79 PARP10 (0.44) PARP10PARP15HPGDSCN9A
SCHEMBL19496733 0.79 SCN9A (0.38) PARP10PARP15HPGDSCN9APDE2A

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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2017-02-02 US disclosed
US-9487704-B2 Nematic liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20160319195-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160060526-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-03-03 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-20170029698-A1 ANTIOXIDANT FOR LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE USING LIQUID CRYSTAL COMPOSITION GPX1, LPO, SCO2 PARP10 4296/4885PARP15 4768/4885HPGD 1407/4885

“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.