SCHEMBL10046737

SCHEMBL10046737

CCc1cc(CCC(=O)NCCN(C)C)cc(C)c1OCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LGALS1 P09382 1/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ DNM1 Q05193 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ S1PR3 Q99500 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16501703 0.93 THRA (0.42) THRATHRBNPSR1CYP1A2CYP2D6
SCHEMBL10046768 0.79 NPSR1 (0.49) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13992479 0.78 NPSR1 (0.54) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL16501713 0.76 NPSR1 (0.49) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13992478 0.76 NPSR1 (0.44) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL16501714 0.73 NPSR1 (0.50) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10046747 0.71 THRA (0.41) THRATHRBS1PR1S1PR3SMN1; SMN2
SCHEMBL13992481 0.68 NPSR1 (0.52) NPSR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10046748 0.66 THRA (0.38) THRATHRBHTTSMN1; SMN2
SCHEMBL11966139 0.66 KMT2A (0.56) ALDH1A1DNM1HPGDHTTSMN1; 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-8716343-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-06 — — US disclosed
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 THRA 2092/4885THRB 2013/4885NPSR1 1564/4885

“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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