SCHEMBL4585148

SCHEMBL4585148

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.43
ADRB1 P08588 9/20 0.43
ADRB2 P07550 2/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SGK1 O00141 1/20 0.36
CAMKK2 Q96RR4 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
SCHEMBL4583959 0.78 ADRB3 (0.42) ADRB3ADRB1MAPT
SCHEMBL25146753 0.73 MAPT (0.47) ADRB3ADRB1MAPTGAAKDM4E
SCHEMBL6286525 0.72 CA12 (0.57) CDK4CCND1GSK3BMAPTGAA
SCHEMBL4468280 0.71 NR4A2 (0.46) CDK4CCND1GSK3BMAPTGAA
SCHEMBL10661402 0.70 LOXL2 (0.62) MAPTTSHR
SCHEMBL15125687 0.69 SLC6A2 (0.43) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4584800 0.69 ADRB3 (0.41) ADRB3ADRB1ADRB2MAPTGAA
SCHEMBL4584978 0.69 CDK4 (0.43) CDK4CCND1GSK3BMAPTGAA
SCHEMBL28592242 0.69 CDK4 (0.43) CDK4CCND1GSK3BMAPTGAA
SCHEMBL7854729 0.69 KDM4E (0.50) ADRB3CDK4CCND1GSK3BMAPT

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 86/4885ADRB1 70/4885ADRB2 58/4885

“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.