SCHEMBL12433442

SCHEMBL12433442

Cc1ccc2c(c1OC(F)(F)F)CCC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2A13 Q16696 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
ALOX12 P18054 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL19999344 0.81 ADRA2A (0.44) CYP2A6ALDH1A1CYP2A13TSHRADRA2A
SCHEMBL12433433 0.79 CYP2A6 (0.36) CYP2A6ALDH1A1CYP2A13TSHRTRPV1
SCHEMBL12433443 0.79 CYP2A6 (0.36) CYP2A6ALDH1A1CYP2A13TSHRADRA2A
SCHEMBL12433434 0.77 CYP2A6 (0.39) CYP2A6ALDH1A1CYP2A13TSHRTRPV1
SCHEMBL14525593 0.77 GAA (0.34) CYP2A6ALDH1A1CYP2A13TSHRGAA
SCHEMBL12433438 0.74 CYP2A6 (0.42) CYP2A6ALDH1A1CYP2A13TSHRGAA
SCHEMBL14525587 0.72 GAA (0.32) GAAHTTSMN1; SMN2
SCHEMBL24718000 0.71 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP2A13TSHRGAA
SCHEMBL23510011 0.71 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP2A13TSHRGAA
SCHEMBL19032997 0.71 ALDH1A1 (0.42) CYP2A6ALDH1A1CYP2A13TSHRGAA

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 28 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-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
US-20180051210-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL WITH ENCAPSULATED LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME JNC CORPORATION (JP) 2018-02-22 US disclosed
US-20180051210-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL WITH ENCAPSULATED LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME JNC CORPORATION (JP) 2018-02-22 US disclosed
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-7740769-B2 Liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-06-22 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 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-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-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

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

For each of this compound's patents that has machine-readable text (6 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 CYP2A6 744/4885ALDH1A1 1134/4885CYP2A13 597/4885
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-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
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, NLRP1, PYCARD CYP2A6 2567/4885ALDH1A1 2304/4885CYP2A13 2127/4885

“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.