SCHEMBL2913206

SCHEMBL2913206

CCCCCNc1ccc(C(=O)c2ccc(NCCCCC)c(C(=O)OC)c2)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 4/20 0.45
GLA P06280 1/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
PTGER4 P35408 1/20 0.43
PLK1 P53350 2/20 0.43

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
SCHEMBL9195780 0.84 PLK1 (0.52) HCAR3KDM4EALDH1A1MAPTGAA
SCHEMBL3396257 0.83 KDM4E (0.52) HCAR3KDM4EALDH1A1MAPTGAA
SCHEMBL9194517 0.83 ABL1 (0.47) KDM4EGLACNR1
SCHEMBL8715959 0.83 CNR2 (0.58) HCAR3KDM4EALDH1A1MAPTGAA
SCHEMBL2910695 0.81 PLK1 (0.43) KDM4EGAAHSD17B10CNR2CNR1
SCHEMBL28875089 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5928710 0.80 KDM4E (0.69) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL15635588 0.79 KDM4E (0.46) HCAR3KDM4EALDH1A1MAPTGAA
SCHEMBL12723401 0.79 RIPK1 (0.47) HCAR3KDM4EALDH1A1MAPTGAA
SCHEMBL5272294 0.78 KDM4E (0.68) KDM4EALDH1A1MAPTGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R HCAR3 214/4885KDM4E 3526/4885ALDH1A1 760/4885

“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.