SCHEMBL17487500

SCHEMBL17487500

CCCC1COC(c2ccc(OCc3cc(F)c(F)c(F)c3)c(F)c2F)OC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
HTR6 P50406 1/20 0.32
KDM1A O60341 2/20 0.32
SLC6A4 P31645 3/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17487498 0.86 MAOB (0.34) MAOBMRGPRX4HTR6KDM1ASLC6A4
SCHEMBL17487747 0.84 HTR6 (0.34) MAOBHTR6SLC6A4HTR1ASLC6A2
SCHEMBL17487494 0.81 HTR6 (0.39) MAOBMRGPRX4HTR6KDM1ASLC6A4
SCHEMBL17487477 0.79
SCHEMBL17487753 0.79 HTR6 (0.38) MAOBMRGPRX4HTR6KDM1ASLC6A4
SCHEMBL8951791 0.78 FPR2 (0.34)
SCHEMBL17799305 0.78 MAOB (0.33) MAOB
SCHEMBL17799303 0.78 MAOB (0.33) MAOB
SCHEMBL17356691 0.77
SCHEMBL17487562 0.77 MAOB (0.36) MAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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 (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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 MAOB 1419/4885MRGPRX4 4044/4885HTR6 3899/4885

“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.