SCHEMBL18006757

SCHEMBL18006757

CCCC1=CCC(CCc2ccc(OCC)c(F)c2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SLC6A4 P31645 6/20 0.31
SLC6A2 P23975 5/20 0.31
SLC6A3 Q01959 5/20 0.31

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
SCHEMBL18006924 0.92 SLC6A2 (0.34) CTSLCTSSCTSKSLC6A4SLC6A2
SCHEMBL18006737 0.91
SCHEMBL18006934 0.87 L3MBTL1 (0.33)
SCHEMBL18006759 0.85 HTR2A (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL18006746 0.82 L3MBTL1 (0.33)
SCHEMBL18006802 0.82 HPGD (0.33)
SCHEMBL18006903 0.82
SCHEMBL18006974 0.82
SCHEMBL18006980 0.82 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL18007073 0.80 CYP2C9 (0.30)

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-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 US disclosed
US-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, ZKSCAN2, ZRANB2 CTSL 3930/4885CTSS 4026/4885CTSK 3931/4885

“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.