SCHEMBL6152589

SCHEMBL6152589

COc1ccc(OC)c(C2(C)CC(Nc3ccccn3)C(=O)O2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR2 O43614 5/20 0.41
HCRTR1 O43613 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
F2 P00734 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
SCHEMBL5776246 0.89 SMN1; SMN2 (0.43) ALDH1A1KMT2AKDM4ETAAR1RAB9A
SCHEMBL6153378 0.88 ROCK2 (0.37) ALDH1A1KMT2AKDM4ESMN1; SMN2NPSR1
SCHEMBL5778037 0.85 MAPT (0.41) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL6292491 0.84 HSD17B10 (0.35) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL5773899 0.83 CCR6 (0.43) KMT2AKDM4ESMN1; SMN2MAPTLMNA
SCHEMBL5775032 0.80 KDM4E (0.42) ALDH1A1KMT2AKDM4ETAAR1SMN1; SMN2
SCHEMBL5776589 0.78 TP53 (0.41) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL5775523 0.78 KDM4E (0.35) ALDH1A1KMT2AKDM4ETAAR1SMN1; SMN2
SCHEMBL5775592 0.77 KDM4E (0.40) ALDH1A1KMT2AKDM4ERAB9ANPC1
SCHEMBL5772617 0.75 NPC1 (0.35) ALDH1A1KMT2AKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP ALDH1A1 4494/4885KMT2A 4167/4885KDM4E 3918/4885

“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.