Sugi Predict

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SCHEMBL20102392

SCHEMBL20102392

CCCC1CCC(COc2cc3c(c(F)c2F)-c2c-3ccc(OCC)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ SSTR5 P35346 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL20111289 0.94 SLC6A4 (0.35) HTR2AHTR2CHTR2B
SCHEMBL20117626 0.92 KDM1A (0.33) HTR2AHTR2CHTR2BRIPK1PTGDR2
SCHEMBL20102571 0.92 HTR2A (0.32) HTR2AHTR2CHTR2BRIPK1BRD4
SCHEMBL20102396 0.92 HTR2A (0.32) HTR2AHTR2CHTR2BRIPK1PTGDR2
SCHEMBL20102462 0.91 HTR2C (0.32) HTR2AHTR2CHTR2BRIPK1PTGDR2
SCHEMBL20102467 0.90 PTGDR2 (0.37) PTGDR2KDM1A
SCHEMBL20111285 0.89 HPGD (0.36) HTR2AHTR2CHTR2BPTGDR2BRD4
SCHEMBL20111270 0.89 HPGD (0.36) HTR2AHTR2CHTR2BPTGDR2BRD4
SCHEMBL20102574 0.89 HTR2A (0.31) HTR2AHTR2CHTR2BRIPK1
SCHEMBL20111317 0.89 GRM2 (0.33) HTR2AHTR2CHTR2BRIPK1PTGDR2

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-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
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 — — US disclosed
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 — — 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 (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 HTR2A 791/4885HTR2C 134/4885HTR2B 651/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S HTR2A 791/4885HTR2C 134/4885HTR2B 651/4885

“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.