SCHEMBL4234432

SCHEMBL4234432

CN1CCOCC1Cc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.39
LTA4H P09960 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CHIT1 Q13231 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CHIA Q9BZP6 1/20 0.35
LMNA P02545 1/20 0.34
NOS1 P29475 1/20 0.34
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL13854969 0.84 ALDH1A1 (0.34) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL4229288 0.82 SMN1; SMN2 (0.45) LTA4HPTGS1PTGS2ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL29690297 0.81 SLC6A4 (0.40) ALDH1A1CYP3A4CHIT1KCNH2SLC6A3
SCHEMBL13854965 0.79 ALDH1A1 (0.55) ALDH1A1MAPTPOLBSMN1; SMN2TSHR
SCHEMBL4236848 0.77 CAPN1 (0.41) ALDH1A1MAPTTDP1CYP3A4ALOX15
SCHEMBL13634926 0.77 PIK3CA (0.44) POLBTSHR
SCHEMBL4239367 0.77 KMT2A (0.49) LTA4HALDH1A1MAPTSMN1; SMN2KCNH2
SCHEMBL4239522 0.76 PDE10A (0.52)
SCHEMBL4516666 0.74 HTR1D (0.41) TEAD4LTA4HPTGS1PTGS2ALDH1A1
SCHEMBL13757292 0.74 HTR1D (0.41) TEAD4LTA4HPTGS1PTGS2ALDH1A1

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 5 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
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 TEAD4 493/4885LTA4H 1061/4885PTGS1 2817/4885

“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.