SCHEMBL2522152

SCHEMBL2522152

CCOC(=O)CCC1CCC(C(=O)OCC)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.41
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMYD3 Q9H7B4 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
SCHEMBL11674366 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL10642886 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AGAATLR4USP2
SCHEMBL17065544 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL4080364 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL13883671 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL3967641 0.77 TLR4 (0.46) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL6675357 0.76 NPC1 (0.55) ALDH1A1KMT2AGAAMEN1KDM4E
SCHEMBL6036885 0.75 NPC1 (0.56) ALDH1A1KMT2AGAAMEN1KDM4E
SCHEMBL9777577 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AGAAKDM4EHPGD
SCHEMBL10614240 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTGAAMEN1

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-8039648-B2 Compounds used as dyes comperable to Alexa Fluor 350 dyes PIERCE BIOTECHNOLOGY, INC. (US) 2011-10-18 US disclosed
US-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES PIERCE BIOTECHNOLOGY, INC. (US) 2010-12-16 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-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES ACR, RO60, ARF5 ALDH1A1 3177/4885KMT2A 1086/4885MAPT 491/4885

“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.