SCHEMBL12433446

SCHEMBL12433446

Cc1cc(F)c2c(c1)CCC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2A13 Q16696 1/20 0.35
TSHR P16473 1/20 0.35
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR1D P28221 3/20 0.32
HTR1B P28222 3/20 0.32
MEN1 O00255 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GAA P10253 1/20 0.31
SRD5A1 P18405 3/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14582425 0.84 HTR2A (0.35) CYP2A6ALDH1A1CYP2A13TSHRKMT2A
SCHEMBL21386525 0.83 NOTUM (0.32) NOTUM
SCHEMBL12511858 0.79 GAA (0.43) CYP2A6ALDH1A1CYP2A13TSHRKMT2A
SCHEMBL12433444 0.78 CYP2A6 (0.33) CYP2A6ALDH1A1CYP2A13TSHRKDM4E
SCHEMBL12433450 0.78 TRPV1 (0.39) CYP2A6ALDH1A1CYP2A13TSHRKDM4E
SCHEMBL12433445 0.78 CYP2A6 (0.33) CYP2A6ALDH1A1CYP2A13TSHRKMT2A
SCHEMBL24348168 0.78 DRD2 (0.46) HTR1DHTR1B
SCHEMBL31037 0.75 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRKDM4E
SCHEMBL21891623 0.75 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRKDM4E
SCHEMBL26545164 0.75 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 US disclosed
US-10570334-B2 Liquid crystal compound, liquid crystal composition, composite material with encapsulated liquid crystal, and liquid crystal display device using same JNC CORPORATION (JP) 2020-02-25 US disclosed
US-20200032143-A1 COMPOUND HAVING DIBENZOFURAN RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2020-01-30 US disclosed
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
WO-2009033532-A1 2,5-SELENOPHENE DERIVATIVES AND 2,5-TELLUROPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-19 WO disclosed
EP-1655360-B1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2008-11-12 EP disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 US disclosed
US-20070187644-A1 Liquid crystal compound, liquid crystal composition, and liquid crystal display device JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2007-08-16 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S CYP2A6 2050/4885ALDH1A1 1182/4885CYP2A13 658/4885
US-10570334-B2 Liquid crystal compound, liquid crystal composition, composite material with encapsulated liquid crystal, and liquid crystal display device using same SOD1, SLC39A11, MTX1 CYP2A6 2507/4885ALDH1A1 688/4885CYP2A13 2135/4885
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 CYP2A6 1681/4885ALDH1A1 1988/4885CYP2A13 693/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S CYP2A6 2050/4885ALDH1A1 1182/4885CYP2A13 658/4885
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 CYP2A6 2140/4885ALDH1A1 577/4885CYP2A13 954/4885

“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.