SCHEMBL23453781

SCHEMBL23453781

[CH2]C(CO)CCOC(=O)CCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ HRH3 Q9Y5N1 6/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ EBP Q15125 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
SCHEMBL23453791 0.85 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL12863835 0.79 ALDH1A1 (0.50) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL23453869 0.76 MEN1 (0.48) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL19034570 0.72 ALDH1A1 (0.55) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL1855324 0.72 CYP1A2 (0.53) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL19034571 0.71 DGKA (0.50) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL12863854 0.71 PAOX (0.45) SMN1; SMN2ALDH1A1L3MBTL1TSHRHRH3
SCHEMBL11593239 0.70 SIGMAR1 (0.50) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL15027866 0.70 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1TSHR
SCHEMBL15027795 0.70 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1TSHR

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-20210169804-A1 NANOMATERIALS GUIDE THERAPEUTICS, LLC 2021-06-10 — — US disclosed
WO-2021113365-A1 NANOMATERIALS GUIDE THERAPEUTICS, INC. (US) 2021-06-10 — — WO 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-20210169804-A1 NANOMATERIALS POLRMT, PHOSPHO1, FABP1 SMN1; SMN2 1827/4885CYP1A2 4347/4885MAPK1 4711/4885

“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.

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