SCHEMBL4584800

SCHEMBL4584800

CCOC(=O)c1ccc(-c2ccc(CC(C)(C)N)cc2)cc1SC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
NMT1 P30419 1/20 0.37
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4583289 0.72 ADRB3 (0.41) ADRB3ALDH1A1CYP2C9CYP2C19ADRB2
Hydrochloric Acid SCHEMBL4585134 0.72 ADRB3 (0.78) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL4585132 0.72 ADRB3 (0.78) ADRB3ADRB2ADRB1
SCHEMBL20715467 0.71 LMNA (0.64) MAPTSMN1; SMN2GAARAB9ALMNA
SCHEMBL4585148 0.69 ADRB3 (0.43) ADRB3MAPTGAAALDH1A1ALOX15
SCHEMBL498837 0.67 CA12 (0.48) MAPTSMN1; SMN2GAARAB9ALMNA
SCHEMBL4582748 0.66 MAPT (0.42) ADRB3MAPTRAB9ACYP2C9CYP2C19
SCHEMBL5831347 0.66 LMNA (0.55) MAPTSMN1; SMN2GAARAB9ALMNA
SCHEMBL2167400 0.66 ALDH1A1 (0.56) MAPTSMN1; SMN2GAARAB9ALMNA
SCHEMBL4862590 0.65 MAPT (0.51) MAPTSMN1; SMN2RAB9ALMNAALDH1A1

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885MAPT 4169/4885SMN1; SMN2 1367/4885

“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.