SCHEMBL6451784

SCHEMBL6451784

CCCC1CCC2CC(c3ccc(OC(F)(F)F)cc3)CCC2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LIPE Q05469 1/20 0.35
RAB9A P51151 1/20 0.35
GCGR P47871 1/20 0.35
TSHR P16473 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
FASN P49327 1/20 0.33

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
SCHEMBL6451779 1.00 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6450978 0.96 CYP2C9 (0.40) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6450975 0.96 CYP2C9 (0.40) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL12032009 0.95 CYP2C9 (0.45) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6452602 0.95 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6452606 0.95 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL5686761 0.94 MEN1 (0.41) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL5686765 0.94 MEN1 (0.41) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6454740 0.93 CYP2C9 (0.38) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6454739 0.93 CYP2C9 (0.38) CYP2C9MEN1KMT2AKDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-8252202-B2 Nematic liquid crystal composition and bistable nematic liquid crystal display DIC CORPORATION (JP) 2012-08-28 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-20110211148-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2011-09-01 US disclosed
US-7871540-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2011-01-18 US disclosed
US-7871540-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2011-01-18 US disclosed
US-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2009-02-26 US disclosed
US-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2009-02-26 US disclosed
WO-2008143340-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND BISTABLE NEMATIC LIQUID CRYSTAL DISPLAY DIC CORPORATION (JP) 2008-11-27 WO disclosed
EP-1116770-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-04-02 EP disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP 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-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION H1-0, H1-4, H1-10 CYP2C9 2876/4885MEN1 1359/4885KMT2A 1510/4885

“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.