SCHEMBL20111296

SCHEMBL20111296

CCc1ccc2c(c1F)-c1c-2cc(OCC2CCC(C3CCCCC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.32
PARP10 Q53GL7 2/20 0.32
SCN9A Q15858 3/20 0.32
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
RIPK1 Q13546 1/20 0.32
SCN5A Q14524 1/20 0.31
PARP15 Q460N3 1/20 0.31
ELANE P08246 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BRD4 O60885 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL20117803 0.91 SCN9A (0.35) SCN9ARIPK1HTR2AHTR2CHTR2B
SCHEMBL20111491 0.90 PTGER1 (0.33) RIPK1
SCHEMBL20117601 0.87 SCN9A (0.36) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL20102545 0.87 RIPK1 (0.32) RIPK1
SCHEMBL20102456 0.86 RIPK1 (0.35) PDE4DPDE4APDE4BPDE4CRIPK1
SCHEMBL20111291 0.84 CTSL (0.35) CYP19A1PARP10SCN9ASCN5APARP15
SCHEMBL20111514 0.83 CYP1A2 (0.37) CYP19A1
SCHEMBL20117739 0.81 HPGD (0.36) SCN9ARIPK1
SCHEMBL20102467 0.80 PTGDR2 (0.37) PTGDR2
SCHEMBL20111289 0.80 SLC6A4 (0.35) CYP19A1PARP10HTR2AHTR2CHTR2B

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 CYP19A1 671/4885PARP10 1825/4885SCN9A 2846/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S CYP19A1 671/4885PARP10 1825/4885SCN9A 2846/4885

“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.