SCHEMBL20111644

SCHEMBL20111644

C=CCCc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
GABRA1 P14867 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
GABRB2 P47870 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 2/20 0.33
POLB P06746 1/20 0.33
GABRB1 P18505 1/20 0.33
RXRA P19793 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 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
SCHEMBL20102495 0.84 MPL (0.30) MPL
SCHEMBL19884557 0.83 GABRA1 (0.38) MEN1GAAMAPTGABRA1CNR1
SCHEMBL20111548 0.81 TYR (0.30)
SCHEMBL20111646 0.80 GABRA1 (0.37) MEN1GAAMAPTGABRA1CNR2
SCHEMBL16692267 0.80 MAOB (0.33) MPL
SCHEMBL20111298 0.78
SCHEMBL20102443 0.75 CTSL (0.33) ALOX5MPL
SCHEMBL20111697 0.74 PTGS2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL17487807 0.73 CYP17A1 (0.33) MPL
SCHEMBL20763388 0.73 MAOB (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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 MEN1 2571/4885GAA 4643/4885MAPT 952/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S MEN1 2571/4885GAA 4643/4885MAPT 952/4885

“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.