SCHEMBL1976477

SCHEMBL1976477

CCCn1c(C)c(C(=O)OCC)c(O)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 3/20 0.49
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP2 O95551 1/20 0.43

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
SCHEMBL1977208 0.87 ALDH1A1 (0.48) NR1H2NR1H3SMN1; SMN2KDM4ECYP3A4
SCHEMBL1975252 0.84 BAZ2B (0.52) NR1H2NR1H3SMN1; SMN2KDM4EALDH1A1
SCHEMBL1975838 0.82 SMN1; SMN2 (0.43) NR1H2NR1H3SMN1; SMN2ALDH1A1GAA
SCHEMBL1349531 0.72 NR1H2 (0.51) NR1H2NR1H3SMN1; SMN2KDM4ECYP3A4
SCHEMBL1976987 0.72 KDM4E (0.40) SMN1; SMN2KDM4ECYP3A4ALDH1A1LMNA
SCHEMBL10123782 0.71 KDM4E (0.56) SMN1; SMN2KDM4ECYP3A4TDP1ALDH1A1
SCHEMBL1400028 0.71 NR1H2 (0.57) NR1H2NR1H3SMN1; SMN2KDM4ECYP3A4
SCHEMBL10085034 0.70 LMNA (0.55) SMN1; SMN2KDM4ECYP3A4ALDH1A1GAA
SCHEMBL9751189 0.70 NR1H2 (0.78) NR1H2NR1H3SMN1; SMN2KDM4ECYP3A4
SCHEMBL11315535 0.70 NR1H2 (0.71) NR1H2NR1H3SMN1; SMN2KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 NR1H2 2451/4885NR1H3 2223/4885SMN1; SMN2 3038/4885

“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.