SCHEMBL762444

SCHEMBL762444

CCCN(C)c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 5/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL762443 0.93 MAPT (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL18713238 0.86 MAPT (0.59) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL13261241 0.84 MAPT (0.53) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL12082337 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTRAB9A
SCHEMBL14905181 0.81 MAPT (0.42) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1924408 0.81 TDP1 (0.52) ALDH1A1TSHRALOX15MAPK1CYP3A4
SCHEMBL6880339 0.81 ESR1 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL6859648 0.81 CHRM1 (0.42) ALDH1A1ALOX15HSD17B10MAPTKDM4E
SCHEMBL8279450 0.81 TAAR1 (0.43) ALDH1A1MAPK1TDP1MAPTKDM4E
SCHEMBL1432529 0.81 TAAR1 (0.43) ALDH1A1MAPTKDM4ECYP2A6

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-8138303-B2 Polymers BASF SE (DE) 2012-03-20 US disclosed
US-20100249349-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2010-09-30 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-20100249349-A1 Novel Polymers OCIAD2, OCIAD1, SLCO4C1 ALDH1A1 478/4885TSHR 4848/4885ALOX15 328/4885

“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.