SCHEMBL3590348

SCHEMBL3590348

C[C@@](NC(=O)CN1CCCCC1)(C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 3/20 0.35
MAP1LC3B Q9GZQ8 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3589942 0.90 KMT2A (0.37) ALDH1A1NPSR1KMT2AMAP1LC3BTDP1
SCHEMBL3601478 0.89 MAP1LC3B (0.34) ALDH1A1KMT2AMAP1LC3BTDP1TSHR
SCHEMBL3599942 0.82 USP2 (0.41) ALDH1A1KMT2AMAP1LC3BTDP1KDM4E
SCHEMBL3598557 0.81 L3MBTL1 (0.39) ALDH1A1KMT2AMAP1LC3BTDP1MEN1
SCHEMBL3595909 0.81 KMT2A (0.42) ALDH1A1KMT2AMAP1LC3BTDP1MEN1
Hydrochloric Acid SCHEMBL3584967 0.80 KMT2A (0.41) ALDH1A1KMT2AMAP1LC3BTDP1MEN1
SCHEMBL3594340 0.80 NPC1 (0.42) ALDH1A1KMT2ATDP1NPC1MEN1
SCHEMBL3594344 0.80 NPC1 (0.42) ALDH1A1KMT2ATDP1NPC1MEN1
SCHEMBL24921832 0.80 DDB1 (0.40) ALDH1A1MAP1LC3BTDP1TSHRL3MBTL1
SCHEMBL13167677 0.79 NPC1 (0.41) ALDH1A1KMT2ATDP1NPC1MEN1

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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US claimed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 ALDH1A1 2635/4885NPSR1 806/4885KMT2A 1947/4885

“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.