SCHEMBL12433465

SCHEMBL12433465

Cc1cc(OC(F)F)c2cc(C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL14525529 0.79 ALDH1A1 (0.42) CYP2A6CYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL13380161 0.77 ACHE (0.56) CYP2A6CYP1A2ALDH1A1LMNAGAA
SCHEMBL14345864 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL31375639 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAGAAHSD17B10
SCHEMBL15173401 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAGAAHSD17B10
SCHEMBL12433470 0.75 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1LMNAGAA
SCHEMBL12433468 0.75 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10821843 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL12433467 0.74 ALDH1A1 (0.49) CYP2A6CYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL14525531 0.74 CYP2A6 (0.45) CYP2A6CYP1A2ALDH1A1SMN1; SMN2LMNA

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 CYP2A6 2050/4885CYP1A2 436/4885ALDH1A1 1182/4885
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 744/4885CYP1A2 155/4885ALDH1A1 1134/4885
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, NLRP1, PYCARD CYP2A6 2567/4885CYP1A2 769/4885ALDH1A1 2304/4885

“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.