SCHEMBL25751125

SCHEMBL25751125

O=C1CC(C(O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 2/20 0.49
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL9753899 0.83 CYP2C9 (0.48) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4
SCHEMBL4693015 0.82 SLC6A2 (0.47) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4
SCHEMBL20602091 0.81 SLC6A2 (0.44) CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL31059495 0.80 CYP2C9 (0.46) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4
SCHEMBL600090 0.80 CYP2C9 (0.46) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4
SCHEMBL1355001 0.78 SLC6A2 (0.44) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4
SCHEMBL12465315 0.75 MAPT (0.42) CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL27462813 0.71 TSHR (0.44) CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL620072 0.70 TSHR (0.48) CYP2C9CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL21702403 0.70 SLC6A2 (0.38) CYP2C9CYP2C19CYP3A4SLC6A2SLC6A4

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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 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-20230202984-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 CYP2C9 3125/4885CYP2C19 3414/4885CYP3A4 2755/4885

“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.