SCHEMBL10046744

SCHEMBL10046744

C=CCc1cc(CC)c(O)c(Cc2cc(CC(=C)C)cc(C)c2O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
OPRM1 P35372 1/20 0.34
HSPA5 P11021 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
DHFR P00374 2/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PARP1 P09874 1/20 0.31
MAPK1 P28482 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
SCHEMBL14213248 1.00 SHBG (0.38) SHBGGAAKDM4EGLAOPRM1
SCHEMBL14213262 0.91 SHBG (0.45) SHBGHSPA5GABRA1GABRB2DHFR
SCHEMBL10046767 0.85 SHBG (0.46) SHBGGAAKDM4EGLAHSPA5
SCHEMBL8967862 0.83 SHBG (0.52) SHBGGAAKDM4EGLAHSPA5
SCHEMBL9167773 0.78 KDM4E (0.44) GAAKDM4EGLAGABRA1GABRB2
SCHEMBL7591262 0.75 SHBG (0.53) SHBGHSPA5GABRA1GABRB2DHFR
SCHEMBL27771899 0.75 SHBG (0.48) SHBGGAAKDM4EGABRA1GABRB2
SCHEMBL30003742 0.72 SHBG (0.63) SHBGHSPA5GABRA1GABRB2DHFR
SCHEMBL2384360 0.72 SHBG (0.63) SHBGHSPA5GABRA1GABRB2DHFR
SCHEMBL9405316 0.72 CA1 (0.44) SHBGGAAKDM4EALOX5PTGS1

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-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
EP-1802291-B1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING UNIV MINNESOTA (US) 2011-12-07 EP 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 SHBG 470/4885GAA 1980/4885KDM4E 4750/4885

“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.