SCHEMBL6403050

SCHEMBL6403050

CC(C(=O)O)C(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PGR P06401 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
KCNH2 Q12809 1/20 0.50
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.45
ATM Q13315 2/20 0.45
MDM2 Q00987 1/20 0.45

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
SCHEMBL8531872 1.00 LMNA (0.51) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL13039632 0.93 LMNA (0.56) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL7635145 0.88 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL12251084 0.86 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL15834920 0.86 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL11559815 0.83 LMNA (0.50) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL31513113 0.82 CES1 (0.54) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL22163778 0.82 LMNA (0.54) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL11204713 0.81 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL9714996 0.81 PGR (0.46) LMNAALDH1A1SMN1; SMN2NPSR1TDP1

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
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 WO disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed
US-4230705-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazines and their uses in treating anxiety AMERICAN CYANAMID COMPANY (US) 1980-10-28 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK LMNA 3488/4885ALDH1A1 3281/4885SMN1; SMN2 4713/4885

“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.