SCHEMBL4229271

SCHEMBL4229271

CN1C(=O)COCC1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4C Q9H3R0 1/20 0.53
GRM2 Q14416 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
GRM5 P41594 5/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
S1PR5 Q9H228 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13854967 0.83 POLB (0.51) MEN1KMT2AKDM4CLMNATP53
SCHEMBL1565020 0.79 LMNA (0.43) LMNAGRM5L3MBTL1
SCHEMBL4193681 0.79 LMNA (0.43) LMNAGRM5L3MBTL1
SCHEMBL4193675 0.79 LMNA (0.43) LMNAGRM5L3MBTL1
SCHEMBL4239367 0.78 KMT2A (0.49) MEN1KMT2AKDM4CLMNATP53
SCHEMBL15133185 0.74 MEN1 (0.53) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4229835 0.73 MEN1 (0.49) MEN1KMT2AKDM4CGRM2LMNA
SCHEMBL4930624 0.70 HPGD (0.50) NPC1RAB9AMAOAMAOB
SCHEMBL2295887 0.68 TP53 (0.49) MEN1KMT2AKDM4CGRM2LMNA
SCHEMBL2297978 0.68 TP53 (0.49) MEN1KMT2AKDM4CGRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 MEN1 932/4885KMT2A 1426/4885KDM4C 308/4885

“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.