SCHEMBL809614

SCHEMBL809614

O=C1CCC/C1=C\c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 5/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ACHE P22303 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TTR P02766 1/20 0.48
AKR1B1 P15121 1/20 0.48
HSD11B1 P28845 1/20 0.46
PIM1 P11309 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
KDM4E B2RXH2 2/20 0.44
APP P05067 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TNF P01375 1/20 0.43

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
SCHEMBL28394403 0.97 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL12948731 0.88 ALDH1A1 (0.76) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL7170445 0.81 ALDH1A1 (0.66) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL7170459 0.81 ALDH1A1 (0.66) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL17077393 0.76 HTT (0.58) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL1524256 0.76 ALDH1A1 (0.58) ALDH1A1MAPTHTTSMN1; SMN2HSD11B1
SCHEMBL3438418 0.76 ALDH1A1 (0.53) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL3438417 0.76 ALDH1A1 (0.53) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL29169562 0.76 HSD11B1 (0.77) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL29169553 0.76 ALDH1A1 (0.63) ALDH1A1MAPTHTTLMNASMN1; SMN2

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 ALDH1A1 1287/4885MAPT 4442/4885HTT 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.