SCHEMBL1892040

SCHEMBL1892040

CC1(C)OB(c2ccc(OCc3ccccc3)cc2C=CC(=O)O)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.52
PTGDR Q13258 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
DGAT1 O75907 1/20 0.47
PTGER4 P35408 4/20 0.46
PTGER2 P43116 4/20 0.46
PTGER1 P34995 3/20 0.46
PLA2G2D Q9UNK4 1/20 0.46
BACE1 P56817 4/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
MAOB P27338 1/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1892037 1.00 PTGER3 (0.52) PTGER3PTGDRALDH1A1KDM4EPKM
SCHEMBL12660704 0.89 MEN1 (0.45) PTGER3PTGDRALDH1A1KDM4EPKM
SCHEMBL15402847 0.83 THRB (0.46) PTGER3ALDH1A1PTGER4PTGER2
SCHEMBL15402845 0.83 THRB (0.46) PTGER3ALDH1A1PTGER4PTGER2
SCHEMBL12419819 0.81 ALOX5 (0.41) HDAC8MAOB
SCHEMBL6069398 0.80 MAOB (0.57) ALDH1A1DGAT1MAOB
SCHEMBL20607798 0.78 DGAT1 (0.48) PKMDGAT1MAOB
SCHEMBL21772156 0.78 DGAT1 (0.50) PKMDGAT1MAOB
SCHEMBL29876160 0.78 DGAT1 (0.50) PKMDGAT1MAOB
SCHEMBL20805182 0.78 DGAT1 (0.52) DGAT1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PTGER3 1841/4885PTGDR 1968/4885ALDH1A1 3689/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 PTGER3 1841/4885PTGDR 1968/4885ALDH1A1 3689/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 PTGER3 1841/4885PTGDR 1968/4885ALDH1A1 3689/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 PTGER3 1841/4885PTGDR 1968/4885ALDH1A1 3689/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 PTGER3 1841/4885PTGDR 1968/4885ALDH1A1 3689/4885

“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.