SCHEMBL3786257

SCHEMBL3786257

CCCCNC(=O)OCC1(CO)CCSc2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCHE P06276 2/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL1552500 0.97 ASAH1 (0.38)
SCHEMBL3777096 0.95 ACHE (0.38) ACHEKDM4EHPGDBCHEMGLL
SCHEMBL1552810 0.92 ASAH1 (0.40)
SCHEMBL1551476 0.77 PRKCA (0.38)
SCHEMBL1552074 0.76 SMN1; SMN2 (0.39) ACHEKDM4EHPGDALDH1A1LMNA
SCHEMBL1551495 0.71 KMT2A (0.40) MGLLKMT2A
SCHEMBL2156058 0.66 SMN1; SMN2 (0.40) ACHEKDM4EHPGDALDH1A1LMNA
SCHEMBL2155816 0.65 TP53 (0.38) KDM4EHPGDALDH1A1LMNAPOLB
SCHEMBL2156649 0.65 HPGD (0.38) ACHEKDM4EHPGDALDH1A1LMNA
SCHEMBL2155933 0.64 LMNA (0.45) ACHEHPGDALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US claimed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 US claimed
US-7858613-B2 Substituted benzo-condensed cycloheptanone derivatives and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-12-28 US disclosed
US-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs GRUENENTHAL GMBH (DE) 2009-08-27 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-20090215858-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives And Their Use For Producing Drugs ABCB1, DHFR, DHPS ACHE 2585/4885KDM4E 620/4885HPGD 59/4885

“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.