SCHEMBL13839296

SCHEMBL13839296

CCc1cccc(Cc2cccc(Cc3cccc(Cc4cccc(C)c4O)c3O)c2O)c1O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.68
GABRB2 P47870 4/20 0.68
ALDH1A1 P00352 2/20 0.50
TRPA1 O75762 2/20 0.45
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ATM Q13315 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SHBG P04278 1/20 0.38

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
SCHEMBL12856364 1.00 GABRA1 (0.68) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL263474 0.92 GABRA1 (0.73) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL31229333 0.92 GABRA1 (0.73) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL17666370 0.92 ALDH1A1 (0.59) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL9824952 0.90 GABRA1 (0.77) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL921881 0.89 GABRA1 (0.85) GABRA1GABRB2
SCHEMBL68936 0.89 ALDH1A1 (0.62) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL15979586 0.89 GABRA1 (0.59) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL18462974 0.84 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1TRPA1KDM4E
SCHEMBL11126429 0.83 ALDH1A1 (0.54) GABRA1GABRB2ALDH1A1TRPA1KDM4E

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 6 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
US-7537974-B2 Photoresist composition, method for forming film pattern using the same, and method for manufacturing thin film transistor array panel using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-26 US disclosed
US-20070154837-A1 Composition for hard mask and method for manufacturing semiconductor device HYNIX SEMICONDUCTOR INC. (KR) 2007-07-05 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.