SCHEMBL3396063

SCHEMBL3396063

CCCCCNc1ccc(Cc2ccc(NCCCCC)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
PKM P14618 1/20 0.63
CISD1 Q9NZ45 6/20 0.51
PLK1 P53350 6/20 0.50
HCAR3 P49019 1/20 0.50
LTC4S Q16873 1/20 0.50
KDM6B O15054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
METAP2 P50579 1/20 0.48
KAT8 Q9H7Z6 2/20 0.48
PLK3 Q9H4B4 1/20 0.46

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
SCHEMBL1628988 0.86 KDM4E (0.48) KDM4EPKMCISD1PLK1HCAR3
SCHEMBL3396257 0.86 KDM4E (0.52) KDM4EPKMPLK1HCAR3PLK3
SCHEMBL28109945 0.84 PLK1 (0.67) CISD1PLK1HCAR3PLK3
SCHEMBL1884483 0.82 CISD1 (0.63) KDM4ECISD1PLK1HCAR3KDM6B
SCHEMBL7356043 0.82 PLK1 (0.53) CISD1PLK1HCAR3KDM6BKDM4C
SCHEMBL8383497 0.81 CISD1 (0.55) CISD1PLK1HCAR3KDM6BKDM4C
SCHEMBL1082290 0.81 KDM6B (0.51) CISD1PLK1HCAR3KDM6BKDM4C
SCHEMBL466141 0.78 PLK1 (0.63) KDM4EPLK1KDM6BKDM4CPLK3
SCHEMBL3843127 0.78 KMT2A (0.71) PKMHCAR3
SCHEMBL15636197 0.78 KDM6B (0.54) KDM4EPKMCISD1PLK1HCAR3

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 US disclosed
EP-2132169-A1 NEW METHYLENEBISPHENYL COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-16 EP disclosed
WO-2008107661-A1 NEW METHYLENEBISPHENYL COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-12 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R KDM4E 2928/4885PKM 2566/4885CISD1 819/4885

“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.