SCHEMBL17547996

SCHEMBL17547996

Cc1c(F)cc(CCC2CCC(C)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 4/20 0.31
MAOA P21397 1/20 0.31
DAO P14920 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17548036 0.95 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL27049743 0.94 MAOB (0.37) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9764129 0.88 NOS3 (0.33) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9764135 0.88 NOS3 (0.33) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9763568 0.86 NOS3 (0.32) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9763573 0.86 NOS3 (0.32) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL9763571 0.86 NOS3 (0.32) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL12895669 0.83 NOS3 (0.31) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL18503351 0.83 NOS3 (0.31) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL17548067 0.82

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 SLC6A2 2770/4885SLC6A4 4137/4885SLC6A3 2806/4885

“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.