SCHEMBL23309243

SCHEMBL23309243

CCOC(=O)[C@H]1CC1c1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR88 Q9GZN0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL22070494 1.00 CA12 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL22325484 0.88 CYP4F2 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL20525002 0.86 CHRM2 (0.45) GPR88TDP1
SCHEMBL6082774 0.86 ALDH1A1 (0.55) MAPTPKMALDH1A1CYP1A2CYP3A4
SCHEMBL15235893 0.86 ALDH1A1 (0.55) MAPTPKMALDH1A1CYP1A2CYP3A4
SCHEMBL15977387 0.86 ALDH1A1 (0.55) MAPTPKMALDH1A1CYP1A2CYP3A4
SCHEMBL15428491 0.84 MAPT (0.47) CA12CA1CA2CA9MAPT
SCHEMBL15096174 0.84 IDO1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL433974 0.84 MAPT (0.47) CA12CA1CA2CA9MAPT
SCHEMBL14244289 0.84 MAPT (0.47) CA12CA1CA2CA9MAPT

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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 CA12 2048/4885CA1 961/4885CA2 363/4885

“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.