SCHEMBL12733671

SCHEMBL12733671

CCCc1ccc(C2CCC(c3ccc(C4CCC(CC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKZ Q13574 1/20 0.32
PANK3 Q9H999 2/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CYP2C9 P11712 1/20 0.32
KLKB1 P03952 1/20 0.31
OPRL1 P41146 5/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DRD2 P14416 1/20 0.31
EPHX2 P34913 1/20 0.31
RORC P51449 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 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
SCHEMBL12734925 0.93 HTR2A (0.36) CYP2C9OPRL1HTR2AHTR2CALDH1A1
SCHEMBL12733672 0.93 SPHK1 (0.33) DGKZPANK3KDM5AKDM4CKDM5B
SCHEMBL12735818 0.89 SCN9A (0.33) HTR2AHTR2C
SCHEMBL12736623 0.89 HTR1A (0.32) KDM5AKDM4CKDM5B
SCHEMBL10301609 0.88 PANK3 (0.34) DGKZPANK3KDM5AKDM4CKDM5B
SCHEMBL12734062 0.87
SCHEMBL10301608 0.87 RORC (0.33) DGKZPANK3KDM5AKDM4CKDM5B
SCHEMBL12716499 0.86 HTR2A (0.35) CYP2C9OPRL1HTR2AHTR2CALDH1A1
SCHEMBL10301610 0.86 SPHK1 (0.34) PANK3KLKB1CTSSCTSKEPHX2
SCHEMBL10301606 0.86 EPHX2 (0.34) DGKZPANK3KDM5AKDM4CKDM5B

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 DGKZ 2678/4885PANK3 3462/4885KDM5A 1768/4885

“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.