SCHEMBL2403835

SCHEMBL2403835

COc1cccc(-c2ncccc2C(=O)N(CCc2ccc(OC)c(OC)c2)CC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
POLB P06746 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
WDR5 P61964 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2407221 0.91 HCRTR1 (0.49) ALDH1A1MEN1CYP3A4KMT2AF2
SCHEMBL2409952 0.88 TP53 (0.42) ALDH1A1MEN1CYP3A4KMT2AF2
SCHEMBL2405626 0.88 ALDH1A1 (0.45) ALDH1A1MEN1CYP3A4KMT2AF2
SCHEMBL1971362 0.87 ALDH1A1 (0.44) ALDH1A1MEN1CYP3A4KMT2AMAPT
SCHEMBL2403390 0.84 DGAT2 (0.42) ALDH1A1MEN1KMT2AMAPTF2
SCHEMBL1968387 0.83 HCRTR1 (0.48) ALDH1A1MAPTF2F10F7
SCHEMBL2405146 0.83 RAF1 (0.44) ALDH1A1MEN1CYP3A4KMT2AF2
SCHEMBL1968841 0.82 HCRTR1 (0.45) ALDH1A1MEN1CYP3A4KMT2AMAPT
SCHEMBL1967737 0.80 HCRTR1 (0.46) ALDH1A1MEN1CYP3A4KMT2AMAPT
SCHEMBL2406402 0.79 HCRTR1 (0.47) ALDH1A1MEN1KMT2AMAPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ALDH1A1 2292/4885MEN1 525/4885CYP3A4 1054/4885

“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.