SCHEMBL1853885

SCHEMBL1853885

C=C[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.34
HTR2A P28223 4/20 0.34
HTR2B P41595 4/20 0.34
RIPK1 Q13546 1/20 0.34
KDM1A O60341 2/20 0.33
PDE4B Q07343 4/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A9 P48067 1/20 0.31
PTGIR P43119 1/20 0.31
BRD4 O60885 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
SCHEMBL26036396 1.00 HTR2C (0.34) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL1853880 1.00 HTR2C (0.34) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL1853883 1.00 HTR2C (0.34) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL9924976 0.96 HTR2C (0.35) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL1853160 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL1853162 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL26036401 0.96 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL1658516 0.95 HTR2A (0.32) HTR2CHTR2AHTR2BRIPK1KDM1A
SCHEMBL24170300 0.94 HTR2C (0.37) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL12366417 0.94 HTR2C (0.37) HTR2CHTR2AHTR2BRIPK1PDE4B

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
EP-1835009-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME DAINIPPON INK & CHEMICALS (JP) 2011-05-25 EP disclosed
US-7670504-B2 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK & CHEMICALS, INC. (JP) 2010-03-02 US disclosed
US-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-05-15 US disclosed
EP-1835009-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-09-19 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 (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-20080111107-A1 Nematic Liquid Crystal Composition And Liquid Crystal Display Device Using The Same PIEZO1, KIF20B, VCL HTR2C 2306/4885HTR2A 1878/4885HTR2B 487/4885

“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.