SCHEMBL14079261

SCHEMBL14079261

CC(C)Oc1ccc(-c2ccc(N)nc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.42
AKT1 P31749 3/20 0.42
GSK3A P49840 3/20 0.42
RPS6KA3 P51812 3/20 0.42
PRKCD Q05655 3/20 0.42
DYRK1A Q13627 3/20 0.42
PRKD2 Q9BZL6 3/20 0.42
CSNK1D P48730 2/20 0.42
STK3 Q13188 2/20 0.42
DYRK3 O43781 2/20 0.42
PRKD3 O94806 2/20 0.42
CLK2 P49760 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
AKT3 Q9Y243 2/20 0.42
EEF2K O00418 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
ERBB4 Q15303 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
ECE1 P42892 1/20 0.41

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
SCHEMBL4733800 0.88 HDAC3 (0.41) SNCAECE1ITGB2ICAM1ITGAL
SCHEMBL14078719 0.87 HPGDS (0.47) ECE1ITGB2ICAM1ITGALMEN1
SCHEMBL14078869 0.86 HPGDS (0.49) AKT1ECE1ITGB2ICAM1ITGAL
SCHEMBL14557766 0.86 KMT2A (0.55) ROCK1ROCK2ITGB2ICAM1ITGAL
SCHEMBL14078848 0.86 TACR1 (0.49) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL14078702 0.85 HDAC3 (0.46) ECE1ITGB2ICAM1ITGALMEN1
SCHEMBL14159228 0.85 ITGB2 (0.46) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14159257 0.85 CDK4 (0.52) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14079274 0.85 HPGDS (0.46) AKT1ITGB2ICAM1ITGALMEN1
SCHEMBL14078717 0.85 MAPT (0.47) ITGB2ICAM1ITGALMEN1KMT2A

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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SNCA 2466/4885AKT1 4615/4885GSK3A 4760/4885

“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.