SCHEMBL10046755

SCHEMBL10046755

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(C)c2OCCN)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.36
HSPA5 P11021 2/20 0.35
PLAU P00749 4/20 0.34
CYP2D6 P10635 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CD69 Q07108 1/20 0.32
TLR4 O00206 2/20 0.32
CD14 P08571 2/20 0.32
LY96 Q9Y6Y9 2/20 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
SCHEMBL10046770 0.93 CYP2C19 (0.35) HTR1DCYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL10046754 0.87 HTR1D (0.31) HTR1D
SCHEMBL10046751 0.83 HTR1D (0.34) HTR1DCYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL13707222 0.82 CYP2C19 (0.41) CYP2C19CYP2C9HIF1ASMN1; SMN2ESR1
SCHEMBL10046776 0.82 HTR1D (0.33) HTR1DCYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL16501701 0.81 CYP2C19 (0.36) CYP2C19CYP2C9HIF1ASMN1; SMN2HSPA5
SCHEMBL13992487 0.81 CYP1A2 (0.32) HTR1DCYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL14213242 0.80 CYP2C19 (0.33) HTR1DCYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL10046743 0.79 CYP2C19 (0.49) HTR1DCYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL13992485 0.78 HTR1D (0.41) HTR1DCYP2D6CYP1A2CD69TLR4

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-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
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 3528/4885CYP2C19 3478/4885CYP2C9 3820/4885

“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.