SCHEMBL4149802

SCHEMBL4149802

C(=N/c1ccccc1)\c1ccccc1.CC(C)(C)OC(=O)CCC(=O)OC(Cc1c2ccccc2cc2ccccc12)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
APP P05067 1/20 0.32
MAPT P10636 4/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
RAB9A P51151 1/20 0.31
EDNRA P25101 1/20 0.31
DHODH Q02127 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
PLEC Q15149 1/20 0.31
ACHE P22303 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11987697 0.87 EDNRA (0.38) APPKMT2AMEN1KDM4EALDH1A1
SCHEMBL6139408 0.75 MEN1 (0.42) KMT2AMEN1KDM4EALDH1A1EDNRA
SCHEMBL14567783 0.74 EDNRA (0.36) KMT2AMEN1KDM4EALDH1A1EDNRA
SCHEMBL5101405 0.71 EPHX1 (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14277075 0.69 EDNRA (0.38) KMT2AMEN1KDM4EALDH1A1EDNRA
SCHEMBL11987704 0.67 KDM4E (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3199683 0.67 MTNR1A (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL12777506 0.67 KMT2A (0.52) CA1CA2MAPTKMT2AMEN1
SCHEMBL14277057 0.66 CASP6 (0.37) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL14567777 0.65 KMT2A (0.33) KMT2AMEN1KDM4EALDH1A1EDNRA

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 4 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-20090220887-A1 Molecular Resists Based On Functionalized Polycarbocycles NATIONAL CENTER FOR SCIENTIFIC RESEARCH 2009-09-03 US disclosed
EP-1941324-A2 MOLECULAR RESISTS BASED ON FUNCTIONALIZED POLYCARBOCYCLES National Center for Scientific Research Demokritos (GR) 2008-07-09 EP 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 CA1 4497/4885CA2 3552/4885APP 2188/4885

“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.