SCHEMBL19914534

SCHEMBL19914534

CNC1CCCC2CCCC2C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35

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
SCHEMBL19914461 0.95 ALDH1A1 (0.38) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL19914450 0.95 ALDH1A1 (0.38) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL27114928 0.93 ALDH1A1 (0.36) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL13066300 0.92 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23079165 0.92 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL18434949 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1108640 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15291359 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22259482 0.85 ALDH1A1 (0.38) ALDH1A1ADH1BADH1CADH1A
SCHEMBL12992966 0.83 ALDH1A1 (0.39) ALDH1A1

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-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2022-01-27 US disclosed
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO 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-20220024939-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI ALDH1A1 127/4885ADH1B 670/4885ADH1C 488/4885

“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.