SCHEMBL14645955

SCHEMBL14645955

COc1ccc(Br)c2c1C(OC)C(C)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.40
ADRA1A P35348 3/20 0.37
DRD2 P14416 4/20 0.36
DRD1 P21728 4/20 0.36
CYP19A1 P11511 1/20 0.35
ACHE P22303 2/20 0.35
HTR2A P28223 3/20 0.33
NQO2 P16083 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL14647321 0.82 MAOA (0.31) CYP1A2
SCHEMBL14645681 0.81 CYP1A2 (0.43) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL28032818 0.77 KDM4E (0.41) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL20478842 0.76 CYP1A2 (0.48) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL20478690 0.76 CYP1A2 (0.48) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL14645603 0.75 POLL (0.31)
SCHEMBL20478732 0.72 KDM4E (0.41) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL1321294 0.70 ALDH1A1 (0.36) KDM4E
SCHEMBL20478635 0.70 CYP1A2 (0.56) KDM4ECYP1A2ADRA1ADRD2DRD1
SCHEMBL15822092 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 EP disclosed
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 EP disclosed
EP-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 EP disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 WO 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-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 KDM4E 1039/4885CYP1A2 214/4885ADRA1A 1445/4885

“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.