SCHEMBL4584671

SCHEMBL4584671

COC(=O)c1ccc(-c2ccc(OCCBr)cc2)cc1SC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.41
MAPT P10636 2/20 0.40
PLA2G2A P14555 3/20 0.39
RARB P10826 2/20 0.37
ALPL P05186 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RARA P10276 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB1 P08588 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 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
SCHEMBL4582748 0.90 MAPT (0.42) ADRB3MAPTPLA2G2ARARBALPL
SCHEMBL4583559 0.83 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL4584689 0.78 ADRB3 (0.50) ADRB3ADRB1CYP2D6
SCHEMBL4584693 0.78 ADRB3 (0.50) ADRB3ADRB1CYP2D6
SCHEMBL23250015 0.75 MAPT (0.49) MAPTRAB9AKDM4ECYP1A2CYP2D6
SCHEMBL4585841 0.74 NR4A2 (0.46) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4815035 0.73 MAPT (0.44) ADRB3MAPTPLA2G2ARARBALPL
SCHEMBL4830905 0.72 CA12 (0.58) MAPTRAB9A
SCHEMBL4830826 0.71 ALDH1A1 (0.46) MAPTRAB9AKDM4E
SCHEMBL25313819 0.71 MAPT (0.45) MAPTRAB9A

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 86/4885MAPT 4169/4885PLA2G2A 1725/4885

“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.