SCHEMBL17694697

SCHEMBL17694697

CCc1ccc(-c2ccc(OC)cc2)n1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 9/20 0.51
MAPT P10636 8/20 0.51
GAA P10253 4/20 0.51
ALOX15 P16050 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP1 P29466 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GLA P06280 1/20 0.47
GRIK2 Q13002 3/20 0.43
GRIK1 P39086 2/20 0.43
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL14035628 0.81 GRIK2 (0.59) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL6279611 0.72 MAPT (0.55) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL7942901 0.69 GRIK2 (0.65) KDM4EALDH1A1MAPTALOX15HPGD
SCHEMBL29565152 0.68 GRIK2 (0.53) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL11658854 0.68 GRIK2 (0.72) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL19275255 0.67 ALDH1A1 (0.77) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL6287191 0.67 PDE4B (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL6287779 0.67 PDE4B (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL6286533 0.67 PDE4B (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL6287258 0.67 PDE4B (0.50) KDM4EALDH1A1MAPTGAAALOX15

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-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 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-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION RUNX1, ETV6, NPM1 KDM4E 2323/4885ALDH1A1 4852/4885MAPT 3645/4885

“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.