SCHEMBL5547809

SCHEMBL5547809

CC(C)OC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc2ccccc2o1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
TP53 P04637 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.46
MAOB P27338 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL5551919 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21749699 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL30729579 0.93 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5552059 0.91 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5663077 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5553176 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5551469 0.85 MEN1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13505968 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21141803 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5551407 0.81 TAS1R3 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 EP 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR ALDH1A1 327/4885SMN1; SMN2 3001/4885MEN1 779/4885

“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.