SCHEMBL11524401

SCHEMBL11524401

CC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
KCNH2 Q12809 1/20 0.54
ESR2 Q92731 1/20 0.52
HRH2 P25021 5/20 0.47
HRH1 P35367 5/20 0.47
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
KIF11 P52732 2/20 0.43
MMP3 P08254 1/20 0.42
P2RY14 Q15391 1/20 0.40
HSD11B1 P28845 2/20 0.39
PAX8 Q06710 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11524397 1.00 HRH3 (0.54) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL14649680 1.00 HRH3 (0.54) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL14649679 0.95 HRH3 (0.50) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL20083485 0.94 ESR2 (0.57) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL30150 0.94 ESR2 (0.57) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL16488063 0.94 ESR2 (0.57) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL10766113 0.89 ESR2 (0.52) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL10909714 0.89 ESR2 (0.52) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL9338854 0.87 HRH3 (0.44) HRH3KCNH2ESR2HRH2HRH1
SCHEMBL9445453 0.87 HRH3 (0.44) HRH3KCNH2ESR2HRH2HRH1

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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584853-B2 Dichroic dye and liquid crystal composition DIC CORPORATION (JP) 2023-02-21 US disclosed
EP-3434750-B1 LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-11-18 EP disclosed
EP-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 EP disclosed
WO-2020189209-A1 LIQUID CRYSTAL COMPOSITE BODY AND LIQUID CRYSTAL LIGHT CONTROL ELEMENT JNC株式会社 2020-09-24 WO disclosed
EP-3305774-B1 BENZOTHIOPHENE-CONTAINING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-08-26 EP disclosed
WO-2020158211-A1 LIQUID CRYSTAL COMPOSITE BODY, LIQUID CRYSTAL LIGHT CONTROL ELEMENT AND LIGHT CONTROL WINDOW JNC株式会社 2020-08-06 WO disclosed
EP-3406585-B1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-07-29 EP disclosed
EP-3663379-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL LIGHT CONTROL ELEMENT JNC Corporation (JP) 2020-06-10 EP disclosed
EP-3179303-B1 LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-04-01 EP disclosed
WO-2020026583-A1 LIQUID CRYSTAL COMPOUND COMPRISING BENZOTHIAZOLE RING AND CF2O LIGAND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-02-06 WO disclosed
EP-2502972-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-09-26 EP disclosed
EP-2366756-A2 Liquid Crystal Composition and Liquid Crystal Display Element JNC Corporation (JP) 2011-09-21 EP disclosed
EP-2357218-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2011-08-17 EP disclosed
EP-2351741-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-08-03 EP disclosed
US-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090256114-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-15 US disclosed
EP-1939268-A1 LIGHT-MODULATING LIQUID-CRYSTAL ELEMENT Adeka Corporation (JP) 2008-07-02 EP disclosed
EP-1788064-A1 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2007-05-23 EP disclosed
US-4154697-A Liquid crystalline hexahydroterphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1979-05-15 US 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-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 HRH3 1368/4885KCNH2 783/4885ESR2 3315/4885

“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.