SCHEMBL10046769

SCHEMBL10046769

C=C(C)NCCCCOc1c(C)cc(C(C)(C)C)cc1CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 3/20 0.33
▸ CD14 P08571 3/20 0.33
▸ LY96 Q9Y6Y9 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NR5A2 O00482 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ SCN2A Q99250 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TP53 P04637 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
SCHEMBL10046771 0.92 S1PR2 (0.38) KDM4ESMN1; SMN2NR5A2NR5A1GAA
SCHEMBL13992485 0.77 HTR1D (0.41) TLR4CD14LY96KDM4EALDH1A1
SCHEMBL13992486 0.77 TLR4 (0.33) TLR4CD14LY96KDM4ESMN1; SMN2
SCHEMBL14213237 0.77 TLR4 (0.33) TLR4CD14LY96KDM4ESMN1; SMN2
SCHEMBL13992519 0.75 CA1 (0.36) KDM4EMAPT
SCHEMBL13992491 0.74 TLR4 (0.34) TLR4CD14LY96KDM4ESMN1; SMN2
SCHEMBL13992488 0.73 CYP1A2 (0.34) TLR4CD14LY96KDM4ESMN1; SMN2
SCHEMBL10046764 0.73 CYP1A2 (0.34) TLR4CD14LY96KDM4ESMN1; SMN2
SCHEMBL16501730 0.72 NR5A2 (0.39) TLR4CD14LY96NR5A2NR5A1
SCHEMBL13001810 0.70 RXRB (0.34) ALDH1A1RAB9ARXRA

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 TLR4 3671/4885CD14 2702/4885LY96 1170/4885

“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.

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