SCHEMBL4947488

SCHEMBL4947488

CCCN(CCC)CCCC[CH]c1ccc(CN=Cc2ccc(C)o2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
CA1 P00915 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2203504 0.83 ALDH1A1 (0.39) POLBALDH1A1PKMMAPT
SCHEMBL2203380 0.81 CXCR4 (0.39) POLBALDH1A1PKMCA1CYP1A2
SCHEMBL2203375 0.80 KDM4E (0.34) POLBALDH1A1PKMCA1CYP1A2
SCHEMBL4951610 0.80 MAOA (0.44) POLBALDH1A1CA1KDM4EMAPT
SCHEMBL2203507 0.79 KDM4E (0.33) POLBALDH1A1PKMKDM4EMAPT
SCHEMBL4951871 0.79 CA2 (0.38) CA1
SCHEMBL4954848 0.75 KCNH2 (0.33) POLB
SCHEMBL4951177 0.75 CXCR4 (0.35)
SCHEMBL4947145 0.66 CA2 (0.42) CA1
SCHEMBL4954388 0.65 CA2 (0.38) ALDH1A1CA1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 POLB 2653/4885ALDH1A1 213/4885PKM 795/4885

“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.