SCHEMBL809563

SCHEMBL809563

O=C1CCC/C1=C\C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL812891 1.00 EGFR (0.43) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL809489 0.98 EGFR (0.45) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL813750 0.98 EGFR (0.45) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL28184645 0.95 EGFR (0.40) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL28184643 0.95 EGFR (0.40) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL17077372 0.93 EGFR (0.42) EGFRALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL17077371 0.93 EGFR (0.42) EGFRALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL14609185 0.86 MAPT (0.38) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL23199683 0.75 ALDH1A1 (0.41) EGFRALDH1A1HTTAKR1C3AKR1C1
SCHEMBL23199681 0.75 ALDH1A1 (0.41) EGFRALDH1A1HTTAKR1C3AKR1C1

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 6 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-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
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 1287/4885HTT 2422/4885

“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.