SCHEMBL20175932

SCHEMBL20175932

Cc1ccccc1CN(CCCC(=O)O)CCN(C)Cc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 2/20 0.45
AKR1B1 P15121 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
APP P05067 3/20 0.36
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36

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
SCHEMBL20175928 0.95 ACHE (0.54) BCHEACHEKDM4EAKR1B1HSP90AA1
SCHEMBL20175935 0.89 BCHE (0.46) BCHEACHEKDM4EAKR1B1HSP90AA1
SCHEMBL20175931 0.85 ACHE (0.52) BCHEACHEAKR1B1HSP90AA1MAPT
SCHEMBL20175938 0.81 BCHE (0.42) BCHEACHEKDM4EAKR1B1HSP90AA1
SCHEMBL20175933 0.81 MAPT (0.55) BCHEACHEAKR1B1HSP90AA1MAPT
SCHEMBL17342246 0.79 AKR1B1 (0.50) KDM4EAKR1B1MAPTALDH1A1MEN1
SCHEMBL15483822 0.77 HTR1A (0.47) AKR1B1MEN1KMT2A
SCHEMBL21417964 0.74 AKR1B1 (0.46) AKR1B1MEN1KMT2ATDP1APP
SCHEMBL17264228 0.74 MAPT (0.50) BCHEACHEAKR1B1HSP90AA1MAPT
SCHEMBL15483812 0.74 HSPA5 (0.50) AKR1B1MEN1KMT2A

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 BCHE 1142/4885ACHE 1215/4885KDM4E 3749/4885

“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.