SCHEMBL10301580

SCHEMBL10301580

CCCc1ccc(C2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 6/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
USP25 Q9UHP3 1/20 0.32
OPRL1 P41146 6/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
GRM2 Q14416 1/20 0.32
BACE1 P56817 1/20 0.31
HTR6 P50406 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR4 Q5NUL3 1/20 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
SCHEMBL10301581 0.90 TYR (0.34) PANK3OPRL1DRD2DRD1DRD4
SCHEMBL10301577 0.89 PANK3 (0.32) PANK3KDM5AKDM4COPRL1HTR6
SCHEMBL10302104 0.89 OPRL1 (0.39) OPRL1
SCHEMBL10301582 0.88 SPHK1 (0.36) DRD2
SCHEMBL10302129 0.88 HTR2A (0.37) OPRL1
SCHEMBL10302625 0.87 HCRTR2 (0.36) PANK3KDM5AKDM4CHTR6FFAR4
SCHEMBL10302655 0.86 HTR1A (0.34) HTR6FFAR4
SCHEMBL10302157 0.85 HTR2A (0.35) OPRL1
SCHEMBL10301578 0.85 SLC6A2 (0.37) PANK3KDM5AKDM4CUSP25OPRL1
SCHEMBL12734984 0.84 OPRL1 (0.37) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 WO 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 PANK3 2842/4885KDM5A 1880/4885KDM4C 1355/4885

“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.