SCHEMBL3879346

SCHEMBL3879346

Cc1c(O)cccc1NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MPO P05164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.43
KDM6B O15054 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
GRM2 Q14416 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL27681062 0.79 IDO1 (0.51) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL453906 0.79 MAPT (0.47) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL29442601 0.79 MAPT (0.47) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL10873034 0.79 HDAC6 (0.52) MAPK1GAAMAPTTP53L3MBTL1
SCHEMBL6542650 0.77 MAPT (0.69) MAPK1GAAMAPTL3MBTL1HDAC8
SCHEMBL5809523 0.76 MAPT (0.47) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL5514754 0.75 MAPT (0.44) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL3879536 0.75 BRD4 (0.46) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL3194480 0.74 MAPT (0.50) MAPK1GAAMAPTTP53HSD17B10
SCHEMBL728418 0.74 KDM4E (0.68) MAPTMPOALDH1A1ALOX12NPC1

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-7589127-B2 Aminoalkylphenols, methods of using and making the same MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-20050234265-A1 Aminoalkylphenols, methods of using and making the same MERCK SHARP & DOHME LLC 2005-10-20 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-20050234265-A1 Aminoalkylphenols, methods of using and making the same NPEPPS, PHOSPHO1, LNPEP MAPK1 3930/4885GAA 1634/4885MAPT 2069/4885

“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.