SCHEMBL4293737

SCHEMBL4293737

O=C1c2ccc(NC(=O)C3CCCC3)cc2C(=O)c2cc(NC(=O)C3CCCC3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
NPC1 O15118 2/20 0.80
MAPT P10636 1/20 0.80
RAB9A P51151 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
CASP3 P42574 1/20 0.72
HPGD P15428 3/20 0.69
KDM4E B2RXH2 2/20 0.69
HSD17B10 Q99714 2/20 0.69
CYP1A2 P05177 1/20 0.64
PTPN1 P18031 1/20 0.58
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL4300016 0.98 ALDH1A1 (0.78) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4296357 0.93 ALDH1A1 (0.91) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9178262 0.89 ALDH1A1 (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12857935 0.84 CASP3 (0.90) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12857988 0.84 CASP3 (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6265770 0.82 ALDH1A1 (1.00) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12857936 0.79 CASP3 (0.78) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28656982 0.79 PTPN1 (0.89) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL125695 0.79 PTPN1 (0.89) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12284611 0.78 PTPN1 (0.69) ALDH1A1NPC1HPGDKDM4EHSD17B10

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-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES NATIONAL DEFENSE MEDICAL CENTER (TW) 2009-10-08 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-20090253709-A1 SYNTHESIS, TELOMERASE INHIBITION AND CYTOTOXIC STUDIES ON 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATIVES TERT, NAT10, POT1 ALDH1A1 481/4885NPC1 2511/4885MAPT 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.