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SCHEMBL11987697

SCHEMBL11987697

CC(C)(C)OC(=O)CCC(=O)OC(Cc1c2ccccc2cc2ccccc12)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.38
▸ STING1 Q86WV6 1/20 0.35
▸ PTPRC P08575 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4149802 0.87 CA1 (0.36) EDNRACTSSCTSKL3MBTL1APP
SCHEMBL14567783 0.85 EDNRA (0.36) EDNRAHTR2AL3MBTL1CYP1A2CYP2C19
SCHEMBL6139408 0.84 MEN1 (0.42) EDNRAHTR2AL3MBTL1CYP1A2CYP2C19
SCHEMBL5101405 0.82 EPHX1 (0.44) EDNRAHTR2AL3MBTL1CYP1A2CYP2C19
SCHEMBL14277075 0.80 EDNRA (0.38) EDNRAHTR2AL3MBTL1CYP1A2CYP2C19
SCHEMBL3199683 0.78 MTNR1A (0.42) HTR2AL3MBTL1CYP1A2CYP2C19KDM4A
SCHEMBL14277057 0.77 CASP6 (0.37) EDNRAHTR2AL3MBTL1POLBKDM4E
SCHEMBL11987704 0.76 KDM4E (0.39) L3MBTL1CYP1A2CYP2C19POLBKDM4E
SCHEMBL14277056 0.74 CYP19A1 (0.39) EDNRAKDM4EALDH1A1HPGDKMT2A
SCHEMBL12690103 0.73 EPHX1 (0.40) HTR2AL3MBTL1CYP1A2CYP2C19KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247158-B2 Molecular resists based on functionalized polycarbocycles ARGITIS PANAGIOTIS (GR) 2012-08-21 — — US disclosed
US-8247158-B2 Molecular resists based on functionalized polycarbocycles ARGITIS PANAGIOTIS (GR) 2012-08-21 — — US disclosed
US-20090220887-A1 Molecular Resists Based On Functionalized Polycarbocycles NATIONAL CENTER FOR SCIENTIFIC RESEARCH 2009-09-03 — — US disclosed
US-20090220887-A1 Molecular Resists Based On Functionalized Polycarbocycles NATIONAL CENTER FOR SCIENTIFIC RESEARCH 2009-09-03 — — US disclosed
WO-2007031803-A2 MOLECULAR RESISTS BASED ON FUNCTIONALIZED POLYCARBOCYCLES NATIONAL CENTER FOR SCIENTIFIC RESEARCH (NCSR) ''DEMOKRITOS'' (GR) 2007-03-22 — — 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-20090220887-A1 Molecular Resists Based On Functionalized Polycarbocycles POLL, CLTB, PCNA EDNRA 1477/4885STING1 3816/4885PTPRC 228/4885

“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.