SCHEMBL1814580

SCHEMBL1814580

CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Br)c(F)c3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
MCL1 Q07820 1/20 0.38
KIF11 P52732 1/20 0.37
PDK2 Q15119 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAOB P27338 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CHKA P35790 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
SCHEMBL18156632 0.91 PDK2 (0.40) RARBRARARARGPDK2NPC1
SCHEMBL1810880 0.91 RARB (0.52) RARBRARARARGTP53HSD17B10
SCHEMBL13002483 0.90 RARB (0.41) RARBRARARARGMCL1KIF11
SCHEMBL16562701 0.90 RARB (0.41) RARBRARARARGMCL1KIF11
SCHEMBL12622892 0.89 RARB (0.51) RARBRARARARGTP53HSD17B10
SCHEMBL15744320 0.89 S1PR1 (0.35) RARBRARARARGMCL1KIF11
SCHEMBL13002330 0.89 RARB (0.40) RARBRARARARGMCL1KIF11
SCHEMBL13002742 0.89 RARB (0.40) RARBRARARARGMCL1KIF11
SCHEMBL18156631 0.88 KIF11 (0.39) RARBRARARARGKIF11PDK2
SCHEMBL19775414 0.88 RARB (0.38) RARBRARARARGMCL1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783735-B2 Liquid crystal display device and liquid crystal composition used therefor SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-10 US disclosed
US-9783735-B2 Liquid crystal display device and liquid crystal composition used therefor SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-10 US disclosed
US-20160304783-A1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR DONGJIN SEMICHEM CO., LTD. (KR) 2016-10-20 US disclosed
US-20160304783-A1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR DONGJIN SEMICHEM CO., LTD. (KR) 2016-10-20 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed
EP-2116522-B1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2013-09-18 EP disclosed
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 US disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 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 (3 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-20160304783-A1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION USED THEREFOR SLC39A11, CYP4F11, WEE1 RARB 1721/4885RARA 2148/4885RARG 2758/4885
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B RARB 2364/4885RARA 1623/4885RARG 2760/4885
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 RARB 2583/4885RARA 2271/4885RARG 2427/4885

“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.