SCHEMBL4822281

SCHEMBL4822281

CCOC(=O)C1C2OC(c3ccccc32)C1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.44
PPM1B O75688 1/20 0.44
PTPN1 P18031 1/20 0.44
PPP1CC P36873 1/20 0.44
KMT2A Q03164 2/20 0.43
CHRM2 P08172 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRM1 P11229 2/20 0.43
KCNH2 Q12809 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL14193348 1.00 TSHR (0.54) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL4821669 0.94 TSHR (0.53) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL4821677 0.94 TSHR (0.53) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL14193345 0.94 TSHR (0.53) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL14193360 0.89 TSHR (0.48) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL4820988 0.89 TSHR (0.48) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL4820992 0.89 TSHR (0.48) TSHRCYP1A2CYP2C19KDM4EPOLB
SCHEMBL4820561 0.78 CPB1 (0.45) TSHRALDH1A1
SCHEMBL14193352 0.78 CPB1 (0.45) TSHRALDH1A1
SCHEMBL4820567 0.78 CPB1 (0.45) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365061-B2 2-Amino-3-functionalized tetralin derivatives and related glycogen phosphorylase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-29 US disclosed
WO-2006055463-A2 2-AMINO-3-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed
US-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 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-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene PYGM, PON1, GYS1 TSHR 2965/4885CYP1A2 879/4885CYP2C19 924/4885

“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.