SCHEMBL7678076

SCHEMBL7678076

CC(C)=Cc1ccc2c(c1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.53
DYRK1B Q9Y463 7/20 0.53
DYRK2 Q92630 4/20 0.53
PIK3CA P42336 1/20 0.48
PRKCI P41743 1/20 0.47
CLK1 P49759 5/20 0.46
HSD11B1 P28845 1/20 0.45
CLK2 P49760 3/20 0.45
CLK3 P49761 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ERN1 O75460 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL11981322 0.88 DYRK1A (0.51) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL20558808 0.80 DYRK1A (0.57) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL6349789 0.78 DYRK1A (0.51) DYRK1ADYRK1BDYRK2PIK3CACLK1
SCHEMBL6349783 0.78 DYRK1A (0.51) DYRK1ADYRK1BDYRK2PIK3CACLK1
SCHEMBL15965547 0.77 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL11981321 0.77 CYP3A4 (0.56) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL4149733 0.77 DYRK1A (0.57) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL339129 0.77 DYRK1A (0.61) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL338477 0.76 DYRK1A (0.47) DYRK1ADYRK1BDYRK2PIK3CAPRKCI
SCHEMBL2871514 0.76 DYRK1A (0.47) DYRK1ADYRK1BDYRK2PIK3CAPRKCI

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-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R DYRK1A 3876/4885DYRK1B 3840/4885DYRK2 3396/4885

“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.