SCHEMBL23453791

SCHEMBL23453791

O=C(CCCN1CCCC1)OCCC(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 2/20 0.37
▸ HRH3 Q9Y5N1 5/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EBP Q15125 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL23453781 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL12863835 0.82 ALDH1A1 (0.50) SMN1; SMN2CYP1A2MAPK1ALDH1A1L3MBTL1
SCHEMBL15027795 0.78 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL15027866 0.78 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL19034629 0.77 L3MBTL1 (0.55) MAPK1ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL15027636 0.75 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL15027156 0.75 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL24654838 0.75 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL15028017 0.75 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6
SCHEMBL17123950 0.75 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250000797-A1 NANOMATERIALS GUIDE THERAPEUTICS, LLC 2025-01-02 — — US disclosed
EP-4069675-A1 NANOMATERIALS Guide Therapeutics, LLC (US) 2022-10-12 — — EP disclosed
US-20210169804-A1 NANOMATERIALS GUIDE THERAPEUTICS, LLC 2021-06-10 — — US disclosed
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 (2 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
US-20250000797-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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