SCHEMBL29889649

SCHEMBL29889649

O=C(CC1(O)CCOCC1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29889371 0.98 BPTF (0.43) BPTFTSHRALDH1A1LMNANPSR1
SCHEMBL29889523 0.85 BPTF (0.47) BPTFALDH1A1ATML3MBTL1MEN1
SCHEMBL29889510 0.79 KMT2A (0.48) BPTFALDH1A1LMNANPSR1ATM
SCHEMBL29889532 0.76 LMNA (0.39) TSHRALDH1A1LMNAL3MBTL1ALOX15
SCHEMBL1968142 0.72 KDM4E (0.43) HSD17B10GAAKDM4E
SCHEMBL23056817 0.71 KMT2A (0.58) BPTFALDH1A1ATML3MBTL1MEN1
SCHEMBL10304585 0.70 L3MBTL1 (0.46) TSHRALDH1A1LMNAL3MBTL1ALOX15
SCHEMBL29889702 0.70 SMYD3 (0.40) ALDH1A1LMNANPSR1L3MBTL1KDM4E
SCHEMBL29889771 0.70 SMYD3 (0.40) ALDH1A1LMNANPSR1L3MBTL1KDM4E
SCHEMBL29889465 0.70 SMYD3 (0.40) ALDH1A1LMNANPSR1L3MBTL1KDM4E

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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-29 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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 BPTF 4202/4885TSHR 329/4885ALDH1A1 255/4885

“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.