SCHEMBL809520

SCHEMBL809520

COC/C=C1\CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ALDH1A1 P00352 8/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP1A2 P05177 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1042803 0.76
SCHEMBL6902421 0.76
SCHEMBL1043282 0.72 ALDH1A1 (0.38) EGFRALDH1A1USP2MAPTKDM4E
SCHEMBL6902803 0.72 ALDH1A1 (0.38) EGFRALDH1A1USP2MAPTKDM4E
SCHEMBL5202848 0.71 NPC1 (0.43) EGFRALDH1A1USP2MAPTKDM4E
SCHEMBL11154943 0.71 NPC1 (0.43) EGFRALDH1A1USP2MAPTKDM4E
SCHEMBL5202851 0.71 NPC1 (0.43) EGFRALDH1A1USP2MAPTKDM4E
SCHEMBL5706184 0.71
SCHEMBL809499 0.71 MAPT (0.38) EGFRALDH1A1USP2MAPTHTT
SCHEMBL812831 0.71 MAPT (0.38) EGFRALDH1A1USP2MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 EGFR 1024/4885ALDH1A1 1287/4885USP2 3031/4885

“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.