SCHEMBL4584978

SCHEMBL4584978

COC(=O)c1ccc(B(O)O)cc1CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 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
SCHEMBL25574247 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL29954663 0.83 ADRB3 (0.41) ALDH1A1
SCHEMBL6286525 0.80 CA12 (0.57) CDK4CCND1GSK3BALDH1A1KDM4E
SCHEMBL4468280 0.79 NR4A2 (0.46) CDK4CCND1GSK3BALDH1A1KDM4E
SCHEMBL9110483 0.77 CA1 (0.47) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4585008 0.77 TDP1 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL28592242 0.77 CDK4 (0.43) CDK4CCND1GSK3BALDH1A1KDM4E
SCHEMBL5703731 0.75 CDK4 (0.43) CDK4CCND1GSK3BALDH1A1KDM4E
SCHEMBL1620614 0.75 ADRB3 (0.37)
SCHEMBL29492895 0.74 KDM4E (0.46) ALDH1A1KDM4ECA12CA1CA2

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 CDK4 3344/4885CCND1 709/4885GSK3B 3984/4885

“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.