SCHEMBL5653822

SCHEMBL5653822

COc1[c]c(OC)c(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
USP2 O75604 1/20 0.39
AR P10275 11/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PGR P06401 2/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL29212775 0.78 KDM4E (0.38) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL7961132 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL748238 0.70
SCHEMBL161217 0.70 CA2 (0.36) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL315488 0.68 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL745940 0.68
SCHEMBL2034789 0.68 GAA (0.41) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL2067460 0.67 KDM4E (0.34) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL6672925 0.66 CA1 (0.39) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL26259810 0.66 IMPDH2 (0.48) ALDH1A1KDM4EIMPDH2IMPDH1USP2

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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ALDH1A1 4580/4885KDM4E 4073/4885IMPDH2 2686/4885

“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.