SCHEMBL6606727

SCHEMBL6606727

COc1cc2c(cc1C=O)NC(=O)C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PGR P06401 4/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
MAP3K11 Q16584 1/20 0.38
POLA1 P09884 2/20 0.38
MAPT P10636 2/20 0.38
PRKDC P78527 2/20 0.38
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ERN1 O75460 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30459912 0.74 PGR (0.44) PGRATAD2PDK2PDK4PDE3B
SCHEMBL30642295 0.74 GRIN2D (0.45) PGRATAD2PDK2PDK4MAP3K11
SCHEMBL3136850 0.71 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL31335972 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EPGRHPGDATAD2
SCHEMBL7713216 0.70 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL27190960 0.69 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL10849623 0.69 ALDH1A1 (0.86) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL6073613 0.68 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1PGR
Asaraldehyde SCHEMBL29456596 0.67 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1LMNA
Asaraldehyde SCHEMBL333451 0.67 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1LMNA

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-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP claimed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US claimed
JP-2002544128-A 2002-12-24 JP claimed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP claimed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO claimed
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 ALDH1A1 546/4885KDM4E 257/4885TSHR 1889/4885

“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.