Sugi Predict

Sugi Predict / Compounds / SCHEMBL14213249

SCHEMBL14213249

SCHEMBL14213249

C=C(C)COc1c(C)cccc1Cc1cccc(Cc2cccc(Cc3cccc(CC)c3O)c2OCC(=C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ PTGER1 P34995 1/20 0.33

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
SCHEMBL10046745 0.99 GABRA1 (0.46) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL16501698 0.83 GABRA1 (0.46) GABRA1GABRB2ALDH1A1PTGDR2KMT2A
SCHEMBL13992521 0.82 NLRP3 (0.49) GABRA1GABRB2ALDH1A1KDM4EHPGD
SCHEMBL10046760 0.78 GABRA1 (0.47) GABRA1GABRB2ALDH1A1KDM4EHPGD
SCHEMBL14213261 0.78 NLRP3 (0.45) GABRA1GABRB2ALDH1A1KDM4EHPGD
SCHEMBL14213239 0.77 KMT2A (0.45) GABRA1GABRB2ALDH1A1MAPTPTGDR2
SCHEMBL16501772 0.77 GABRA1 (0.46) GABRA1GABRB2ALDH1A1PTGDR2KMT2A
SCHEMBL6575634 0.76 KMT2A (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL13992490 0.76 KMT2A (0.46) GABRA1GABRB2ALDH1A1MAPTPTGDR2
SCHEMBL12856364 0.75 GABRA1 (0.68) GABRA1GABRB2ALDH1A1KDM4EHPGD

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
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-8642656-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-04 — — US disclosed
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-02-07 — — US disclosed
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 — — 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 (2 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-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU GABRA1 2616/4885GABRB2 2538/4885ALDH1A1 4794/4885
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU GABRA1 2616/4885GABRB2 2538/4885ALDH1A1 4794/4885

“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.