SCHEMBL4516710

SCHEMBL4516710

CC[C@H](N)CN(C)c1cc(C)nc(-c2cc(-c3cc[nH]n3)ccc2O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
LMNA P02545 3/20 0.36
PRKD3 O94806 2/20 0.34
PRKD1 Q15139 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL4516699 1.00 ESR1 (0.37) ESR1ESR2LMNAPRKD3PRKD1
SCHEMBL4516717 1.00 ESR1 (0.37) ESR1ESR2LMNAPRKD3PRKD1
SCHEMBL4518368 0.87 PRKD3 (0.43) ESR1ESR2PRKD3PRKD1PRKD2
SCHEMBL4518381 0.87 PRKD3 (0.43) ESR1ESR2PRKD3PRKD1PRKD2
SCHEMBL4518375 0.87 PRKD3 (0.43) ESR1ESR2PRKD3PRKD1PRKD2
SCHEMBL14865914 0.82 LMNA (0.42) ESR1ESR2LMNAPRKD3PRKD1
SCHEMBL4520638 0.80 LMNA (0.43) ESR1ESR2LMNAMAPTALDH1A1
SCHEMBL4499299 0.79 LMNA (0.38) ESR1ESR2LMNAPRKD3PRKD1
SCHEMBL4499302 0.79 LMNA (0.38) ESR1ESR2LMNAPRKD3PRKD1
SCHEMBL4499310 0.79 LMNA (0.38) ESR1ESR2LMNAPRKD3PRKD1

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT ESR1 1242/4885ESR2 293/4885LMNA 2132/4885

“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.