SCHEMBL12433468

SCHEMBL12433468

Cc1cc(OCF)c2cc(C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
CYP2A6 P11509 5/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 5/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 6/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10922650 0.78 ACHE (0.50) CYP1A2KDM4EHPGDALDH1A1TDP1
SCHEMBL13380161 0.77 ACHE (0.56) CYP1A2CYP2A6KDM4EHPGDALDH1A1
SCHEMBL18644161 0.76 MAPT (0.45) KDM4EHPGDALDH1A1LMNATDP1
SCHEMBL18644136 0.76 MAPT (0.45) KDM4EHPGDALDH1A1LMNATDP1
SCHEMBL12433470 0.75 CYP1A2 (0.41) CYP1A2CYP2A6KDM4EHPGDALDH1A1
SCHEMBL12433465 0.75 CYP2A6 (0.41) CYP1A2CYP2A6KDM4EHPGDALDH1A1
SCHEMBL12433408 0.75 TSHR (0.53) CYP1A2KDM4EHPGDALDH1A1LMNA
SCHEMBL12433469 0.74 LMNA (0.49) CYP1A2CYP2A6KDM4EHPGDALDH1A1
SCHEMBL13663829 0.73 CYP2A6 (0.54) CYP1A2CYP2A6KDM4ETDP1MAPT
SCHEMBL12433457 0.72 CYP1A2 (0.46) CYP1A2CYP2A6KDM4EHPGDALDH1A1

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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 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-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-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9499744-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-11-22 US disclosed
US-9499744-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-11-22 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
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-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 (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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S CYP1A2 436/4885CYP2A6 2050/4885KDM4E 1555/4885
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 CYP1A2 155/4885CYP2A6 744/4885KDM4E 1630/4885
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, NLRP1, PYCARD CYP1A2 769/4885CYP2A6 2567/4885KDM4E 2257/4885

“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.