SCHEMBL5089747

SCHEMBL5089747

CSCC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9784220 0.82 CCNB2 (0.37) DGAT1CYP2D6CCNB2CCNE2CDK1
SCHEMBL2648388 0.82 DGAT1 (0.42) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL2778025 0.82 HDAC3 (0.36) CYP2D6CCNB2CCNE2CDK1CDK4
SCHEMBL11452065 0.79 CYP2C9 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL5731252 0.78 MGAM (0.46) HTTCA12CA14MEN1GAA
SCHEMBL6415291 0.77 ALDH1A1 (0.41) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL241533 0.77 DGAT1 (0.46) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL10833684 0.76 TDP1 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL182237 0.76 TDP1 (0.41) DGAT1CYP2D6CYP1A2CYP2C9CYP2C19
Methyl Alcohol SCHEMBL27995686 0.74 DGAT1 (0.44) DGAT1CYP2D6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 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 (2 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 DGAT1 4364/4885CYP2D6 689/4885CCNB2 2787/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 DGAT1 4364/4885CYP2D6 689/4885CCNB2 2787/4885

“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.