SCHEMBL4581213

SCHEMBL4581213

CCC(c1ccc(C(N)=O)c(NCCOC)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
PTGER4 P35408 2/20 0.40
KMT2A Q03164 2/20 0.38
MAPK10 P53779 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37
PKM P14618 1/20 0.37
MAPK9 P45984 1/20 0.37
GAA P10253 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TRAP1 Q12931 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4581085 0.78 DYRK1A (0.46) MAPK1LMNAKMT2AALDH1A1KDM4E
SCHEMBL4581828 0.78 LMNA (0.38) MAPK1LMNAPTGER4KMT2AMAPK10
SCHEMBL4581579 0.77 ALDH1A1 (0.42) MAPK1LMNAPTGER4KMT2AMAPK10
SCHEMBL4581333 0.77 MAPK10 (0.39) MAPK1LMNAPTGER4KMT2AMAPK10
SCHEMBL12819603 0.74 PTGER4 (0.47) LMNAPTGER4ALDH1A1PKMHSP90AA1
SCHEMBL2429456 0.73 PTGER4 (0.67) LMNAPTGER4KMT2AALDH1A1KDM4E
SCHEMBL10397855 0.72 NEK2 (0.46) MAPK1KMT2AALDH1A1KDM4EMEN1
SCHEMBL4580932 0.71 MAPK9 (0.53) MAPK1MAPK10MAPK9
SCHEMBL4539617 0.68 KDM4E (0.54) MAPK1PTGER4KMT2AMAPK10ALDH1A1
SCHEMBL5591756 0.67 PTGER4 (0.47) LMNAPTGER4ALDH1A1KDM4EHSP90AA1

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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 MAPK1 1198/4885LMNA 3563/4885PTGER4 360/4885

“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.