SCHEMBL17355533

SCHEMBL17355533

CCCC1COC(c2ccc(Br)cc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM1A O60341 6/20 0.37
RCOR1 Q9UKL0 3/20 0.37
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MDM2 Q00987 1/20 0.33
KDM1B Q8NB78 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL12695232 0.92 CYP3A4 (0.43) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL8746390 0.90 CYP3A4 (0.39) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL8746417 0.89 ALDH1A1 (0.41) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL4863846 0.89 ALDH1A1 (0.41) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL8916690 0.89 ALDH1A1 (0.41) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL8746409 0.89 ALDH1A1 (0.41) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL13381355 0.86 ALDH1A1 (0.34) CYP2C9ALDH1A1HTR2CHTR2BSLC6A2
SCHEMBL10637901 0.84 CYP2C9 (0.38) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL10637896 0.84 CYP2C9 (0.38) CYP3A4TSHRCYP2D6CYP2C19CYP2C9
SCHEMBL8997289 0.84 SLC6A3 (0.43) CYP2C9KDM1ARCOR1TAAR1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
EP-2957554-A1 LIQUID-CRYSTALLINE COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-12-23 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-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CPNE4, PIEZO1 CYP3A4 1562/4885TSHR 3719/4885CYP2D6 3118/4885

“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.