SCHEMBL4239367

SCHEMBL4239367

CN1CCOCC1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
HTT P42858 1/20 0.49
HRH3 Q9Y5N1 4/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EGFR P00533 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL13634926 0.87 PIK3CA (0.44)
SCHEMBL13854965 0.82 ALDH1A1 (0.55) KMT2ANPC1MEN1TP53RAB9A
Ammonia Solution, Strong SCHEMBL29690297 0.79 SLC6A4 (0.40) ALDH1A1KCNH2
SCHEMBL4236848 0.78 CAPN1 (0.41) ALDH1A1MAPTKDM4E
SCHEMBL4229271 0.78 MEN1 (0.53) KMT2ANPC1MEN1TP53RAB9A
SCHEMBL28176946 0.78 TAAR1 (0.42) KMT2AMEN1CHRNB2CHRNA5CHRNA7
SCHEMBL28175915 0.78 TAAR1 (0.42) KMT2AMEN1CHRNB2CHRNA5CHRNA7
SCHEMBL4234432 0.77 TEAD4 (0.39) NPC1RAB9AHRH3ALDH1A1MAPT
SCHEMBL13854969 0.74 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4239522 0.74 PDE10A (0.52)

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 KMT2A 1426/4885NPC1 633/4885MEN1 932/4885

“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.