SCHEMBL6000317

SCHEMBL6000317

CCC(O)c1ccc(CNC)c(Oc2ccc3c(c2)CCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.41
KCNH2 Q12809 17/20 0.41
SLC6A4 P31645 16/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38

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
SCHEMBL5999642 0.80 AOC3 (0.33) HTR2AKCNH2SLC6A4
SCHEMBL6000549 0.73 HTR2A (0.41) HTR2AKCNH2SLC6A4
Formic Acid SCHEMBL6000262 0.72 SLC6A4 (0.45) HTR2AKCNH2SLC6A4
SCHEMBL5502100 0.68 SLC6A4 (0.44) HTR2AKCNH2SLC6A4
SCHEMBL5999798 0.67 SLC6A4 (0.52) HTR2AKCNH2SLC6A4
SCHEMBL5498330 0.67 SLC6A4 (0.62) HTR2AKCNH2SLC6A4
SCHEMBL29256525 0.67 HDAC3 (0.54) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13814476 0.67 HDAC3 (0.50) KCNH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11864310 0.66 AOC3 (0.67) KCNH2SLC6A4
SCHEMBL24196242 0.65 KDM4E (0.40)

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 HTR2A 7/4885KCNH2 2331/4885SLC6A4 150/4885

“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.