SCHEMBL20111337

SCHEMBL20111337

CCOc1ccc2c(c1F)-c1c-2cc(CCc2ccc(O)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FGFR2 P21802 1/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STK17B O94768 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CALM1 P0DP23 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL20102470 0.86 FGFR2 (0.33) FGFR2CTSLCTSSCTSK
SCHEMBL20102404 0.84 CTSL (0.39) GABRA1GABRB2ALDH1A1FGFR2CTSL
SCHEMBL20111651 0.84 FGFR2 (0.38) GABRA1GABRB2ALOX5ALDH1A1FGFR2
SCHEMBL20102530 0.81 CTSL (0.34) ALDH1A1FGFR2CTSLCTSSCTSK
SCHEMBL20102405 0.81 FGFR2 (0.34) ALOX5ALDH1A1FGFR2MEN1KMT2A
SCHEMBL20111247 0.78 L3MBTL1 (0.35) ALDH1A1FGFR2CTSLCTSSCTSK
SCHEMBL1659868 0.76 ALDH1A1 (0.41) GABRA1GABRB2ALOX5ALDH1A1FGFR2
SCHEMBL28038952 0.76 ALDH1A1 (0.46) ALOX5ALDH1A1ESR1MEN1KMT2A
SCHEMBL423475 0.76 ALDH1A1 (0.46) ALOX5ALDH1A1ESR1MEN1KMT2A
SCHEMBL20111248 0.76 QRFPR (0.36) ALDH1A1MEN1KMT2A

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 GABRA1 2640/4885GABRB2 3408/4885ALOX5 1168/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S GABRA1 2640/4885GABRB2 3408/4885ALOX5 1168/4885

“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.