SCHEMBL13073128

SCHEMBL13073128

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(OCCN2CCN(CCO)CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 7/20 0.44
SLC6A11 P48066 6/20 0.43
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL13073473 0.81 TK2 (0.38) SLC6A1SLC6A11CYP1A2LMNA
SCHEMBL13073640 0.79 SLC6A1 (0.44) SLC6A1SLC6A11ALDH1A1MEN1TP53
SCHEMBL13073487 0.78 SLC6A1 (0.43) SLC6A1SLC6A11ALDH1A1MEN1TP53
SCHEMBL13073479 0.77 TK2 (0.38) SLC6A1CYP3A4KMT2ALMNAHTT
SCHEMBL13073639 0.77 SLC6A1 (0.46) SLC6A1SLC6A11ALDH1A1MEN1TP53
SCHEMBL13073486 0.74 HDAC6 (0.38) ALDH1A1MEN1TP53KMT2ALMNA
SCHEMBL13073475 0.71 MAPT (0.46) ALDH1A1MEN1KMT2ASLC6A3LMNA
SCHEMBL13184698 0.71 CYP3A4 (0.33) SLC6A1SLC6A11TP53CYP3A4LMNA
SCHEMBL332280 0.70 ALDH1A1 (0.50) SLC6A1SLC6A11ALDH1A1MEN1TP53
Maleic Acid SCHEMBL29410667 0.70 SLC6A11 (0.49) SLC6A1SLC6A11ALDH1A1MEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS SLC6A1 4805/4885SLC6A11 4794/4885ALDH1A1 4064/4885

“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.