SCHEMBL4583959

SCHEMBL4583959

COC(=O)c1ccc(-c2ccc(CC(C)(C)NC(=O)OCc3ccccc3)cc2)cc1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.42
ADRB1 P08588 3/20 0.42
CTSS P25774 1/20 0.41
NAAA Q02083 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
MGLL Q99685 2/20 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
SCHEMBL4585148 0.78 ADRB3 (0.43) ADRB3ADRB1MAPT
SCHEMBL3843818 0.74 OPRM1 (0.52) CTSSMEN1KMT2ARAB9A
SCHEMBL16078350 0.72 AAK1 (0.49) CTSSMEN1KMT2ARAB9AAAK1
SCHEMBL6279915 0.72 MAOB (0.53) MEN1KMT2ARAB9A
SCHEMBL4610532 0.70 CASR (0.55) CTSSMEN1KMT2ATACR1
SCHEMBL3846947 0.69 MAPT (0.53) MEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL4585511 0.69 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL6161722 0.68 MGLL (0.56) NAAAKMT2AENPP2MAPTRAB9A
SCHEMBL14349356 0.68 KMT2A (0.50) CTSSMEN1KMT2AMAPTRAB9A
SCHEMBL16088511 0.68 ALDH1A1 (0.61) MEN1KMT2AMAPTRAB9A

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 4 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
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO 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 86/4885ADRB1 70/4885CTSS 694/4885

“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.