SCHEMBL3456972

SCHEMBL3456972

[CH2]CCCC(CCl)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.36
HTR2A P28223 6/20 0.36
TSHR P16473 1/20 0.34
CYP19A1 P11511 4/20 0.33
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7302725 0.83 HRH1 (0.39) HRH1HTR2ATSHRCYP19A1HDAC3
SCHEMBL3385362 0.80 LMNA (0.42) HRH1HTR2ATAAR1CYP2D6SIGMAR1
SCHEMBL11481732 0.80 POLB (0.42) HRH1HTR2ASIGMAR1
SCHEMBL8847425 0.79 HRH1 (0.39) HRH1HTR2ACYP19A1HDAC3HDAC4
SCHEMBL8014868 0.78 KCNH2 (0.47) HTR2ACYP19A1SIGMAR1
SCHEMBL4773619 0.78 CYP19A1 (0.53) HRH1HTR2ACYP19A1SIGMAR1
SCHEMBL3316490 0.78 AOC3 (0.40) HRH1HTR2AHDAC3HDAC4HDAC1
SCHEMBL15563156 0.78 POLB (0.41) HRH1HTR2ASIGMAR1
SCHEMBL5598365 0.78 TSHR (0.48) HRH1HTR2ATSHRGABBR2GABBR1
SCHEMBL1921279 0.77 SIGMAR1 (0.41) HTR2ASIGMAR1

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-2263995-A1 Para-tert-butylcalix[6]arenes with triacid fuctional groups in positions 2, 4 and 6, as well as supported liquid membranes and support material comprising such membranes and their use INSTITUT DE RADIOPROTECTION ET DE SURETE NUCLEAIRE (I.R.S.N.) (FR) 2010-12-22 EP disclosed
US-20090095681-A1 P-TERT-BUTYLCALIX[6]ARENES WITH TRIACIDIC FUNCTIONS AT 2, 4 AND 6, SUPPORTED LIQUID MEMBRANES AND SUPPORT MATERIALS COMPRISING THE SAME AND USE THEREOF CHELATOR (FR) 2009-04-16 US disclosed
EP-1885682-A2 P-TERT-BUTYLCALIX[6]ARENES WITH TRIACIDIC FUNCTIONS AT 2, 4 AND 6 SUPPORTED LIQUID MEMBRANES SUPPORT MATERIALS COMPRISING THE SAME AND USE THEREOF CHELATOR (FR) 2008-02-13 EP disclosed
WO-2006123051-A2 P-TERT-BUTYLCALIX[6]ARENES WITH TRIACIDIC FUNCTIONS AT 2, 4 AND 6 SUPPORTED LIQUID MEMBRANES SUPPORT MATERIALS COMPRISING THE SAME AND USE THEREOF CHELATOR (FR) 2006-11-23 WO 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-20090095681-A1 P-TERT-BUTYLCALIX[6]ARENES WITH TRIACIDIC FUNCTIONS AT 2, 4 AND 6, SUPPORTED LIQUID MEMBRANES AND SUPPORT MATERIALS COMPRISING THE SAME AND USE THEREOF TERT, SLC6A6, SLC26A3 HRH1 1191/4885HTR2A 3452/4885TSHR 3157/4885

“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.