SCHEMBL4559552

SCHEMBL4559552

C=Cn1cc(C2=CC(=O)N(c3ccc(OCCCO)cc3)C2=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
PPARG P37231 1/20 0.35
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
GSK3B P49841 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 4/20 0.32

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
SCHEMBL4565063 0.84 MAPT (0.41) MAPTMEN1KMT2APRKCBPRKCA
SCHEMBL4564847 0.79 CCNB2 (0.51) MAPTMEN1KMT2ATDP1PRKCG
SCHEMBL4559548 0.77 GSK3B (0.38) S1PR1S1PR3PPARGMEN1KMT2A
SCHEMBL8923158 0.63 GSK3B (0.47) PRKCBPRKCAGSK3B
SCHEMBL28670067 0.62 ALDH1A1 (0.44) S1PR1S1PR3PPARGMAPTGAA
SCHEMBL4565065 0.61 PRKCB (0.47) PRKCBPRKCAGSK3B
SCHEMBL10038470 0.58 HPGD (0.36) PPARGMAPTPOLBHPGDNPSR1
SCHEMBL28690586 0.58 RECQL (0.53) MAPTMEN1KMT2AGAANPSR1
SCHEMBL3599227 0.57 TLR9 (0.46) TDP1PRKCGPRKCBPRKCAGSK3B
SCHEMBL555384 0.57 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US 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-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK S1PR1 3144/4885S1PR3 3228/4885PPARG 3757/4885

“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.