SCHEMBL12733672

SCHEMBL12733672

CCCCc1ccc(C2CCC(c3ccc(C4CCC(CC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.33
TYR P14679 1/20 0.33
DGKZ Q13574 1/20 0.31
PANK3 Q9H999 2/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KLKB1 P03952 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30
CNR2 P34972 1/20 0.30
CYP2C9 P11712 1/20 0.30
OPRL1 P41146 2/20 0.30
SPHK2 Q9NRA0 2/20 0.30
RORC P51449 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
SCHEMBL12716499 0.93 HTR2A (0.35) SPHK1CYP2C9OPRL1
SCHEMBL12733671 0.93 DGKZ (0.32) DGKZPANK3KDM5AKDM4CKDM5B
SCHEMBL12733683 0.92 CYP2C9 (0.40) SPHK1TYRPANK3CYP2C9OPRL1
SCHEMBL12736625 0.90 HTR1A (0.31) KDM5AKDM4CKDM5BHTR1A
SCHEMBL12735823 0.90 SCN9A (0.32) KDM5AKDM4CKDM5BCNR2
SCHEMBL10301610 0.89 SPHK1 (0.34) SPHK1TYRPANK3KLKB1SPHK2
SCHEMBL12733684 0.88 CYP2C9 (0.39) SPHK1CNR2CYP2C9OPRL1SPHK2
SCHEMBL12734063 0.88
SCHEMBL12716755 0.88 CYP2C9 (0.37) SPHK1CYP2C9OPRL1
SCHEMBL10301607 0.86 SPHK1 (0.34) SPHK1TYRPANK3KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 SPHK1 1395/4885TYR 2047/4885DGKZ 2678/4885

“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.