Sugi Predict

Sugi Predict / Compounds / SCHEMBL1976987

SCHEMBL1976987

SCHEMBL1976987

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CNR2 P34972 4/20 0.39
▸ LDHA P00338 1/20 0.39
▸ LDHB P07195 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL1977866 0.84 CNR2 (0.41) KDM4EHSD17B10CNR2LDHALDHB
SCHEMBL1977208 0.83 ALDH1A1 (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1978072 0.81 ALDH1A1 (0.40) KDM4EHSD17B10CNR2ALDH1A1MAPK1
SCHEMBL21826182 0.77 ALDH1A1 (0.48) KDM4EHSD17B10LDHALDHBALDH1A1
SCHEMBL9947724 0.73 CYP1A2 (0.38) KDM4EHSD17B10LDHALDHBALDH1A1
SCHEMBL9947675 0.72 LDHA (0.38) KDM4ELDHALDHBALDH1A1MAPK1
SCHEMBL1976477 0.72 NR1H2 (0.53) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL28801578 0.72 LMNA (0.47) KDM4EHSD17B10CNR2ALDH1A1MAPK1
SCHEMBL9947686 0.72 ALDH1A1 (0.43) KDM4EHSD17B10LDHALDHBALDH1A1
SCHEMBL1975252 0.71 BAZ2B (0.52) KDM4EHSD17B10ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 2090/4885HSD17B10 2815/4885CNR2 331/4885

“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.