SCHEMBL8077590

SCHEMBL8077590

CCCC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
FYN P06241 1/20 0.35
OPRL1 P41146 9/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TLR4 O00206 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL3269921 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1574998 0.96 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13293543 0.96 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3270112 0.96 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20273220 0.95 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12223362 0.91 OPRL1 (0.36) OPRL1
SCHEMBL12994006 0.91 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20969242 0.91 MAPT (0.36) CYP2C9MAPTMEN1KMT2AOPRL1
SCHEMBL15725361 0.88 TRPV3 (0.32) ALDH1A1MAPK1OPRL1IDO1TDO2
SCHEMBL18641711 0.88 TRPV3 (0.32) ALDH1A1MAPK1OPRL1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4261269-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2023-10-18 EP disclosed
US-10647921-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-12 US disclosed
EP-3275973-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-12-18 EP disclosed
US-10479940-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-11-19 US disclosed
EP-3467073-A1 SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT DIC Corporation (JP) 2019-04-10 EP disclosed
EP-2925834-B1 LENS ELEMENT MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
US-20180105746-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-04-19 US disclosed
US-20180105746-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-04-19 US disclosed
US-20180057747-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-01 US disclosed
US-20180057747-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-01 US disclosed
EP-3275973-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-01-31 EP disclosed
EP-2199270-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2016-05-25 EP disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-2044172-B1 FUSED NAPHTHALENES MERCK PATENT GMBH (DE) 2011-06-22 EP disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP disclosed
EP-1591513-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT EMPLOYING THE SAME DAINIPPON INK & CHEMICALS (JP) 2008-07-02 EP disclosed
EP-1026142-A1 2,3-DIFLUOROPHENYL DERIVATIVES HAVING NEGATIVE VALUE OF PERMITTIVITY ANISOTROPY, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-08-09 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-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CYP2C9 3041/4885ALDH1A1 4574/4885LMNA 2081/4885

“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.