SCHEMBL2107809

SCHEMBL2107809

CC(CC#N)Oc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
SLC6A4 P31645 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PBRM1 Q86U86 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PLA2G7 Q13093 1/20 0.34
GAA P10253 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
SCHEMBL2107806 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2SLC6A4NPSR1PBRM1
SCHEMBL28263637 0.81 MTNR1A (0.46) SLC6A4PBRM1GAA
SCHEMBL14402540 0.77 ALDH1A1 (0.42) ALDH1A1SLC6A4
SCHEMBL13265662 0.76 ALDH1A1 (0.44) ALDH1A1SLC6A4NPSR1PPARGPPARA
SCHEMBL8854033 0.76 ALDH1A1 (0.45) ALDH1A1SLC6A4NPSR1PPARGPPARA
SCHEMBL10042022 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SLC6A4NPSR1PPARG
SCHEMBL5754610 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SLC6A4NPSR1PPARG
SCHEMBL10572263 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SLC6A4NPSR1PPARG
SCHEMBL2106077 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2SLC6A4NPSR1PPARG
SCHEMBL3439475 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SLC6A4NPSR1PPARG

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-8158667-B2 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2012-04-17 US disclosed
US-20090082415-A1 Topical treatment of cataracts in dogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2009-03-26 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-20090082415-A1 Topical treatment of cataracts in dogs AKR1A1, AKR1B1, AKR1C1 ALDH1A1 40/4885SMN1; SMN2 3195/4885SLC6A4 4072/4885

“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.