SCHEMBL1890644

SCHEMBL1890644

CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2ccc(OC)c(C)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40
PPARG P37231 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL38659061 1.00 MTNR1A (0.42) MTNR1AMTNR1BTSHRHSD17B10KDM4E
SCHEMBL15399809 0.92 MTNR1A (0.39) MTNR1AMTNR1BTSHRHSD17B10KDM4E
SCHEMBL12660791 0.91 MTNR1A (0.43) MTNR1AMTNR1BTSHRALDH1A1PTPN1
SCHEMBL19257720 0.89 XDH (0.42) MTNR1AMTNR1BTSHRHSD17B10KDM4E
SCHEMBL15602073 0.87 RAB9A (0.44) MTNR1AMTNR1BTSHRHSD17B10KDM4E
SCHEMBL38659657 0.87 POLB (0.50) MTNR1AMTNR1BHSD17B10FFAR1
SCHEMBL1891972 0.87 POLB (0.50) MTNR1AMTNR1BHSD17B10FFAR1
SCHEMBL19257588 0.87 HSD17B10 (0.43) MTNR1AMTNR1BTSHRHSD17B10ALDH1A1
SCHEMBL1892714 0.87 MTNR1A (0.47) MTNR1AMTNR1BTSHRALDH1A1PTPN1
SCHEMBL35843127 0.87 MTNR1A (0.47) MTNR1AMTNR1BTSHRALDH1A1PTPN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160184274-A1 Methods for inhibiting mesenchymal phenotype after epithelial-to-mesenchymal transition UNIVERSITAT DE VALENCIA (ES) 2016-06-30 US claimed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 EP claimed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US claimed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US claimed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20160184274-A1 Methods for inhibiting mesenchymal phenotype after epithelial-to-mesenchymal transition UNIVERSITAT DE VALENCIA (ES) 2016-06-30 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 US disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 EP disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 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 (6 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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MTNR1A 4363/4885MTNR1B 3756/4885TSHR 4043/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MTNR1A 4363/4885MTNR1B 3756/4885TSHR 4043/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MTNR1A 4363/4885MTNR1B 3756/4885TSHR 4043/4885
US-20160184274-A1 Methods for inhibiting mesenchymal phenotype after epithelial-to-mesenchymal transition VIM, EPCAM, CDH1 MTNR1A 2268/4885MTNR1B 2265/4885TSHR 4531/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MTNR1A 4363/4885MTNR1B 3756/4885TSHR 4043/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 MTNR1A 4363/4885MTNR1B 3756/4885TSHR 4043/4885

“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.