SCHEMBL21945477

SCHEMBL21945477

O=Cc1cc(O)cc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.50
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
CISD1 Q9NZ45 2/20 0.34
BACE1 P56817 1/20 0.34
PTGS2 P35354 2/20 0.33
ALDH1A3 P47895 1/20 0.33
LCK P06239 1/20 0.33
TTR P02766 1/20 0.33
CYP1A1 P04798 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL413618 0.88 DRD1 (0.57) DRD1ALDH1A3ALOX15GFERADAM17
SCHEMBL1748564 0.81 ALDH1A3 (0.55) ALDH5A1ABATBACE1PTGS2ALDH1A3
SCHEMBL24036554 0.79 DRD1 (0.49) DRD1ALDH1A3ALOX15GFERADAM17
SCHEMBL2497078 0.79 DRD1 (0.49) DRD1ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL25752940 0.77 DRD1 (0.46) DRD1ALDH1A3MEN1ALDH1A1KMT2A
SCHEMBL22926439 0.75 ALDH1A1 (0.47) DRD1ALOX15GFERADAM17MEN1
SCHEMBL29556004 0.75 ALDH1A1 (0.47) DRD1ALOX15GFERADAM17MEN1
SCHEMBL29177359 0.74 DRD1 (0.44) DRD1PTGS2TTRALOX15MAPK1
SCHEMBL17203921 0.74 CA12 (0.50) ALOX15GFERADAM17MAPK1NLRP3
SCHEMBL378297 0.74 CYP1A1 (0.58) ALDH5A1ABATBACE1PTGS2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 DRD1 4556/4885ALDH5A1 224/4885ABAT 7/4885

“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.