SCHEMBL4085683

SCHEMBL4085683

CCOC(=O)c1cc(C)n(Cc2cc(Br)ccc2O)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 19/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL252003 0.86 PTGER1 (0.51) PTGER1
SCHEMBL4683999 0.86 PTGER1 (0.51) PTGER1
SCHEMBL4684067 0.85 TP53 (0.43) ALDH1A1
SCHEMBL4680374 0.84 PTGER1 (0.44) PTGER1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL15050228 0.84 PTGER1 (0.47) PTGER1
SCHEMBL29699814 0.83 MEN1 (0.61) PTGER1CYP1A2SMN1; SMN2
SCHEMBL4103500 0.82 PTGER1 (0.60) PTGER1CYP1A2
SCHEMBL15070182 0.81 PTGER1 (0.56) PTGER1CYP1A2
SCHEMBL4097278 0.80 PTGER1 (0.81) PTGER1CYP1A2
SCHEMBL15050011 0.80 PTGER1 (0.56) PTGER1CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522890-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-9522890-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-9522890-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2016-03-10 US disclosed
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2016-03-10 US disclosed
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2016-03-10 US disclosed
EP-2966064-A1 PYRAZOLE-3-CARBOXYLIC ACID COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2016-01-13 EP disclosed
EP-2966064-A1 PYRAZOLE-3-CARBOXYLIC ACID COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2016-01-13 EP disclosed
US-9090566-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2015-07-28 US disclosed
US-9090566-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2015-07-28 US disclosed
US-20130165492-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-20130165492-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 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 (4 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR PTGER1 1/4885CYP1A2 150/4885ALDH1A1 1438/4885
US-20130165492-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE PTGER1, PTGER4, PTGER2 PTGER1 1/4885CYP1A2 979/4885ALDH1A1 2885/4885
US-20160068491-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS PTGER4, PTGER1, GRK4 PTGER1 2/4885CYP1A2 1913/4885ALDH1A1 3557/4885
US-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 PTGER1 1257/4885CYP1A2 208/4885ALDH1A1 3505/4885

“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.