SCHEMBL3209704

SCHEMBL3209704

CCOC(=O)C1OC1c1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TP53 P04637 4/20 0.41
MDM2 Q00987 4/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3209706 1.00 TSHR (0.68) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9692314 0.84 TSHR (0.45) TSHRKDM4ETP53MDM2MAPT
SCHEMBL3207933 0.84 TSHR (0.74) TSHRCACNA1DKDM4EMAPTGAA
SCHEMBL3207926 0.84 TSHR (0.74) TSHRCACNA1DKDM4EMAPTGAA
SCHEMBL30862348 0.82 TSHR (0.67) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL29199122 0.82 TSHR (0.67) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8875725 0.82 TSHR (1.00) TSHRKDM4ETP53MDM2MAPT
SCHEMBL111475 0.82 TSHR (1.00) TSHRKDM4ETP53MDM2MAPT
SCHEMBL3201023 0.82 TSHR (1.00) TSHRKDM4ETP53MDM2MAPT
SCHEMBL14393160 0.82 TSHR (1.00) TSHRKDM4ETP53MDM2MAPT

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-7671238-B2 Arylamino-arylpropanolamine derivatives and methods of their use WYETH LLC (US) 2010-03-02 US disclosed
WO-2008042362-A1 ARYLAMINO-ARYLPROPANOLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-04-10 WO disclosed
US-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use WYETH (US) 2008-04-10 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-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use PNMT, PAH, SLC18A2 TSHR 2696/4885CACNA1F 1090/4885CACNA1D 907/4885

“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.