SCHEMBL2140175

SCHEMBL2140175

CCCCOC(=O)OCCOCCOCCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.47
ABCB11 O95342 1/20 0.47
ADRA2B P18089 1/20 0.47
OPRD1 P41143 1/20 0.47
SCN5A Q14524 1/20 0.47
ATM Q13315 1/20 0.45
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1469586 1.00 ALDH1A1 (0.48) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1470060 1.00 ALDH1A1 (0.48) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1469577 0.96 TSHR (0.46) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1470358 0.96 TSHR (0.46) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1471842 0.96 TSHR (0.48) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1471623 0.96 TSHR (0.48) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1471810 0.96 TSHR (0.48) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1469962 0.94 TSHR (0.47) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1470344 0.94 TSHR (0.47) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1
SCHEMBL1470139 0.94 ALDH1A1 (0.54) ALDH1A1CYP3A4ABCB11ADRA2BOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US claimed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US disclosed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP 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 (2 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885ABCB11 1961/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CYP3A4 1753/4885ABCB11 1961/4885

“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.