SCHEMBL30196232

SCHEMBL30196232

[2H]c1ccc(OC)c(OCC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL30196076 0.81 SLC6A2 (0.50) CA12CA1CA2CA4CA7
SCHEMBL27863637 0.81 SLC6A2 (0.50) CA12CA1CA2CA4CA7
1,2-Diethoxybenzene SCHEMBL10335108 0.69 CA12 (0.65) MAPTKDM4ECA12CA1CA2
1-Methoxy-2-Ethoxybenzene SCHEMBL194473 0.69 CA12 (0.65) MAPTKDM4ECA12CA1CA2
SCHEMBL31078868 0.68 HPGD (0.55) MAPTTSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL1697616 0.68 HPGD (0.55) MAPTTSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL12728608 0.68 MAPT (0.48) MAPTKDM4ETSHRHSD17B10CA12
SCHEMBL31045486 0.68 MCHR1 (0.53) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL19144812 0.68 KDM4E (0.51) MAPTKDM4ETSHRHTTHSD17B10
SCHEMBL2518861 0.67 SMN1; SMN2 (0.68) MAPTKDM4ETSHRHSD17B10CA12

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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B MAPT 3874/4885KDM4E 406/4885TSHR 3028/4885

“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.