SCHEMBL4229288

SCHEMBL4229288

CN1CCOCC1Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KCNJ1 P48048 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
KCNH2 Q12809 2/20 0.44
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
HSPB1 P04792 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5345077 0.85 RAB9A (0.51) SMN1; SMN2ALDH1A1MAPTLMNARAB9A
SCHEMBL4234070 0.83 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KCNJ1MAPTLMNA
SCHEMBL13854969 0.81 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4238830 0.78 GABRP (0.47) ALDH1A1MAPTLTA4HRAB9AMAPK1
SCHEMBL4229277 0.78 PTGS2 (0.43) SMN1; SMN2ALDH1A1KCNJ1LMNAKCNH2
SCHEMBL13757293 0.78 PTGS2 (0.43) SMN1; SMN2ALDH1A1KCNJ1LMNAKCNH2
Ammonia Solution, Strong SCHEMBL29690297 0.77 SLC6A4 (0.40) ALDH1A1KCNH2MGLL
SCHEMBL4238871 0.76 LTA4H (0.37) SMN1; SMN2ALDH1A1MAPTLTA4HPTGS1
SCHEMBL25296343 0.75 KCNJ1 (0.48) SMN1; SMN2ALDH1A1KCNJ1MAPTLMNA
SCHEMBL13854965 0.74 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTLMNAKCNH2

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-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
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 SMN1; SMN2 4027/4885ALDH1A1 115/4885KCNJ1 1034/4885

“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.