SCHEMBL4585819

SCHEMBL4585819

CC(C)Sc1cc(Br)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.47
PTPRG P23470 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
ADRB3 P13945 1/20 0.43
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SORT1 Q99523 3/20 0.38
PPARA Q07869 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL4585841 0.82 NR4A2 (0.46) KDM4EGLAL3MBTL1ALDH1A1HTT
SCHEMBL20504804 0.81 CA12 (0.46) KDM4EL3MBTL1ALDH1A1POLBMEN1
SCHEMBL21939455 0.81 CSNK2A1 (0.47) ADRB3ALDH1A1POLBMEN1KMT2A
SCHEMBL3198739 0.80 PTPRC (0.50) PTPRCPTPRGKDM4EGLAMYC
SCHEMBL28229958 0.79 PTPRC (0.53) PTPRCPTPRGKDM4EGLAMYC
SCHEMBL4584018 0.79 ADRB3 (0.50) PTPRGADRB3MYCL3MBTL1ALDH1A1
SCHEMBL17495183 0.76 PTPRC (0.57) PTPRCPTPRGKDM4EGLAMYC
SCHEMBL3309695 0.74 POLB (0.62) KDM4EADRB3ALDH1A1POLB
SCHEMBL20389509 0.74 MEN1 (0.49) PTPRCPTPRGKDM4EGLAMYC
SCHEMBL2470201 0.73 PTPRC (0.45) PTPRCPTPRGKDM4EGLAMYC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 CN disclosed
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 PTPRC 4704/4885PTPRG 4805/4885KDM4E 1697/4885

“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.