SCHEMBL10046751

SCHEMBL10046751

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C)c2OCCNC(=N)N)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SCN2A Q99250 2/20 0.33
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSPA5 P11021 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
TLR4 O00206 2/20 0.30
CD14 P08571 2/20 0.30
LY96 Q9Y6Y9 2/20 0.30

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
SCHEMBL10046776 0.99 HTR1D (0.33) HTR1DHTR1BSCN2ACYP2C19CYP2C9
SCHEMBL10046754 0.95 HTR1D (0.31) HTR1DHTR1BSCN2A
SCHEMBL13992487 0.89 CYP1A2 (0.32) HTR1DHTR1BSCN2ACYP2C19CYP2C9
SCHEMBL14213242 0.89 CYP2C19 (0.33) HTR1DHTR1BSCN2ACYP2C19CYP2C9
SCHEMBL10046764 0.85 CYP1A2 (0.34) HTR1DHTR1BSCN2ACYP2C19CYP2C9
SCHEMBL13992488 0.85 CYP1A2 (0.34) HTR1DHTR1BSCN2ACYP2C19CYP2C9
SCHEMBL10046755 0.83 HTR1D (0.39) HTR1DCYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL13992486 0.82 TLR4 (0.33) HTR1DHTR1BSMN1; SMN2F10PRSS1
SCHEMBL14213237 0.82 TLR4 (0.33) HTR1DHTR1BSMN1; SMN2F10PRSS1
SCHEMBL10046770 0.81 CYP2C19 (0.35) HTR1DSCN2ACYP2C19CYP2C9SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 US disclosed
EP-1802291-B1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING UNIV MINNESOTA (US) 2011-12-07 EP disclosed
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-12-04 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 (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-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU HTR1D 3528/4885HTR1B 4459/4885SCN2A 4473/4885

“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.