SCHEMBL5553176

SCHEMBL5553176

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
CYP24A1 Q07973 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5663077 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5551407 0.93 TAS1R3 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5551410 0.93 TAS1R3 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5659278 0.91 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5551994 0.91 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5547809 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5551919 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5552109 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5662198 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5552146 0.83 MEN1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A

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 327/4885MEN1 779/4885KMT2A 460/4885

“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.