SCHEMBL6805074

SCHEMBL6805074

COC(=O)Oc1cccc2c1OCN(CC(=O)Cl)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
MTNR1A P48039 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL6934190 0.84 KDM4E (0.35) ACACBLMNAKDM4EHPGDHSD17B10
SCHEMBL6556019 0.72 PARP1 (0.50) LMNAKDM4EHPGDHSD17B10MAPT
SCHEMBL18196600 0.70 HPGD (0.42) LMNAKDM4EHPGDHSD17B10MAPT
SCHEMBL11708040 0.68 CYP1A2 (0.62) CYP1A2MEN1KMT2A
Oxalic Acid SCHEMBL11719164 0.67 POLB (0.48) LMNAKDM4EMAPTPOLB
SCHEMBL5200399 0.66 MTNR1A (0.47) KDM4EHPGDHSD17B10MAPTMTNR1A
SCHEMBL28471767 0.65 ACKR3 (0.39) PRMT5
SCHEMBL28469182 0.64 ACKR3 (0.45) PRMT5
SCHEMBL11715311 0.64 DHCR7 (0.49) MAPTMEN1KMT2A
SCHEMBL11709331 0.64 KCNH2 (0.50) CYP1A2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132707-A1 Catecholate beta-lactam conjugates, method for producing the same and the use thereof GRUENENTHAL GMBH (DE) 2004-07-08 US disclosed
WO-2002085841-A2 SUBSTITUTED CATECHOL DERIVATIVES DERIVED FROM POLYBASIC SECONDARY AMINO ACIDS, METHOD FOR PRODUCTION AND USE THEREOF Grünenthal GmbH (DE) 2002-10-31 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-20040132707-A1 Catecholate beta-lactam conjugates, method for producing the same and the use thereof COMT, CAT, SLC7A11 ACACB 1512/4885LMNA 4322/4885KDM4E 3812/4885

“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.