SCHEMBL10052097

SCHEMBL10052097

O=C1c2ccccc2C(=O)N1CCC(CO)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GLS O94925 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 2/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL368756 0.79 ALDH1A1 (0.65) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL7444648 0.78 ALDH1A1 (0.51) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL13587642 0.78 CASP3 (0.51) ALDH1A1MAPTNPSR1CASP3CA12
SCHEMBL21801787 0.77 ALDH1A1 (0.61) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL14691850 0.76 GLS (0.50) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL5798482 0.75 MAPK1 (0.58) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL30268729 0.75 MAPK1 (0.58) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL5798484 0.75 MAPK1 (0.58) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL6153732 0.75 MAPK1 (0.58) ALDH1A1GLSMAPTNPSR1CASP3
SCHEMBL30242673 0.75 ALDH1A1 (0.59) ALDH1A1GLS

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-10040761-B2 Branched hetero polyethylene glycol and intermediate NOF CORPORATION (JP) 2018-08-07 US disclosed
US-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE NOF CORPORATION (JP) 2012-03-29 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 (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-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE F12, FGB, F13B ALDH1A1 3626/4885GLS 1984/4885MAPT 2800/4885
US-10040761-B2 Branched hetero polyethylene glycol and intermediate F12, FGB, F10 ALDH1A1 3665/4885GLS 2135/4885MAPT 2667/4885

“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.