SCHEMBL4892790

SCHEMBL4892790

c1ccc(Cn2c3c(c4cc(Oc5ccccc5)ccc42)CNCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.50
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTR6 P50406 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL7130580 0.88 CYP3A4 (0.49) HDAC1HDAC6CYP3A4PTGS1PTGS2
SCHEMBL8035118 0.85 CYP3A4 (0.58) HDAC1HDAC6CYP3A4HTR6
SCHEMBL8025072 0.81 HDAC1 (0.69) HDAC1HDAC6HTR6
Hydrochloric Acid SCHEMBL7131399 0.81 HDAC1 (0.54) HDAC1HDAC6PTGS1PTGS2SIRT2
SCHEMBL13141908 0.80 HDAC1 (0.64) HDAC1HDAC6PTGS1PTGS2
SCHEMBL10155064 0.78 CYP3A4 (0.51) HDAC1HDAC6CYP3A4HTR6
SCHEMBL13142351 0.78 HTR6 (0.69) CYP3A4PTGS1PTGS2HTR6SIRT2
SCHEMBL4886182 0.77 PTGS1 (0.54) CYP3A4PTGS1PTGS2HTR6SIRT2
SCHEMBL4892347 0.76 PTGS1 (0.46) CYP3A4PTGS1PTGS2HTR6
SCHEMBL4127644 0.76 HDAC1 (0.56) HDAC1HDAC6PTGS1PTGS2SIRT2

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-20080280941-A1 8-Phenoxy-Gamma Carboline Derivatives PHARMA C S.A. (FR) 2008-11-13 US disclosed
EP-1756102-A1 8-PHENOXY-GammaCARBOLINE DERIVATIVES Pharma C S.A. (FR) 2007-02-28 EP disclosed
WO-2005095396-A1 8-PHENOXY-Ϝ CARBOLINE DERIVATIVES PHARMA C S.A. (FR) 2005-10-13 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-20080280941-A1 8-Phenoxy-Gamma Carboline Derivatives CHRNA7, ADRA2C, CHRNE HDAC1 1187/4885HDAC6 810/4885CYP3A4 259/4885

“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.