SCHEMBL1509975

SCHEMBL1509975

CCCC1CCC(C2CCC(c3c(OCCF)cccc3C(F)F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
HTR2B P41595 5/20 0.35
HTR1D P28221 4/20 0.35
HTR7 P34969 4/20 0.35
HTR2C P28335 4/20 0.35
DRD1 P21728 3/20 0.35
DRD4 P21917 3/20 0.35
HRH2 P25021 3/20 0.35
HTR1B P28222 3/20 0.35
SLC6A4 P31645 3/20 0.35
HRH1 P35367 3/20 0.35
ADRA1B P35368 2/20 0.35
HTR6 P50406 2/20 0.35
ADRA2C P18825 2/20 0.35
DRD2 P14416 2/20 0.35
DRD5 P21918 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR5A P47898 1/20 0.35
DRD3 P35462 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL1509929 0.82 MCHR1 (0.38) HTR2BHTR1DHTR7HTR2CDRD1
SCHEMBL1509949 0.81 HPGD (0.38) KCNH2HTR2BHTR2CDRD2DRD3
SCHEMBL1510007 0.81 CYP2C9 (0.38) KCNH2HTR2BHTR1DHTR7HTR2C
SCHEMBL21173696 0.80 HTR1D (0.38) KCNH2HTR2BHTR1DHTR7HTR2C
SCHEMBL1509960 0.80 HTR1D (0.47) KCNH2HTR2BHTR1DHTR2CDRD1
SCHEMBL7214616 0.74 VEGFA (0.32) HTR2BHTR1DHTR2CHTR1BDRD2
SCHEMBL1510001 0.74 CYP2C9 (0.38) KCNH2HTR2BHTR1DHTR7HTR2C
SCHEMBL8077290 0.72 CYP2C9 (0.32) HTR2BHTR1DHTR2CHTR1BCYP2C9
SCHEMBL7917228 0.72 KCNH2 (0.34) KCNH2HTR2BHTR1DHTR7HTR2C
SCHEMBL1509908 0.71 CYP2C9 (0.34) DRD1DRD2CYP2C9

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-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 KCNH2 122/4885HTR2B 1586/4885HTR1D 1965/4885

“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.