SCHEMBL5999729

SCHEMBL5999729

NCCc1ccc(Cl)cc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
F7 P08709 1/20 0.49
LTA4H P09960 1/20 0.49
F3 P13726 1/20 0.49
NR4A2 P43354 1/20 0.49
HTR2A P28223 13/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
SLC6A4 P31645 12/20 0.43
KCNH2 Q12809 12/20 0.43
RHEB Q15382 3/20 0.43
CHEK1 O14757 1/20 0.42
CMA1 P23946 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
SCHEMBL5999997 0.83 SOS1 (0.46) AHRF7LTA4HF3NR4A2
SCHEMBL5999724 0.82 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL5998632 0.81 NOS1 (0.51) HTR2ATRPM8SLC6A4KCNH2
SCHEMBL5998731 0.80 PTGS1 (0.48) HTR2ATRPM8
SCHEMBL5999978 0.77 HTR2A (0.53) HTR2ATRPM8SLC6A4KCNH2
SCHEMBL6000287 0.75 RHEB (0.66) HTR2ATRPM8SLC6A4KCNH2RHEB
SCHEMBL6000147 0.74 HTR2A (0.43) HTR2ASLC6A4KCNH2
SCHEMBL3483906 0.72 AHR (0.44) AHRF7LTA4HF3NR4A2
SCHEMBL6000189 0.71 HTR2A (0.40) HTR2ASLC6A4KCNH2
SCHEMBL5497556 0.71 HTR2A (0.41) HTR2ATRPM8SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B AHR 192/4885F7 2717/4885LTA4H 1470/4885

“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.