SCHEMBL3438875

SCHEMBL3438875

C=C(Nc1cccc(NC(=O)[C@H](C)OC)c1C(C)(C)C)[C@H](C)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.38
CETP P11597 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK14 Q16539 3/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
MDM2 Q00987 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL10073852 0.92 TSHR (0.43) TDP1TSHRHPGDGAACETP
SCHEMBL3438879 0.80 CETP (0.50) GAACETPALDH1A1MDM4TP53
SCHEMBL10046433 0.76 MDM4 (0.58) HPGDGAACETPALDH1A1HTT
SCHEMBL15120767 0.75 TSHR (0.47) TDP1TSHRHPGDGAACETP
SCHEMBL14653010 0.71 KDM4E (0.46) TDP1TSHRHPGDGAAALDH1A1
SCHEMBL11330877 0.70 NPC1 (0.56) TDP1TSHRHPGDGAAALDH1A1
SCHEMBL14948982 0.69 GAA (0.69) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL3438880 0.67 HTT (0.50) TSHRHPGDGAAALDH1A1KDM4E
SCHEMBL10046434 0.67 SMN1; SMN2 (0.58) TSHRHPGDGAAALDH1A1KDM4E
SCHEMBL3438878 0.66 CETP (0.58) TSHRCETPALDH1A1KDM4ETP53

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD TDP1 3132/4885TSHR 3418/4885HPGD 495/4885

“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.