SCHEMBL22901344

SCHEMBL22901344

O=C(CN1C[C@@H]2C[C@H]1C[C@@H]2O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTA4H P09960 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL21216728 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL26214878 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL12458049 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL1919581 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL1919579 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL24087502 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL30036162 0.79 PSEN1 (0.46) ALDH1A1L3MBTL1CYP2C19RAB9ANPC1
SCHEMBL22901311 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL23467506 0.77 LTA4H (0.49) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9
SCHEMBL26404221 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CYP1A2CYP2C9

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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 US disclosed
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-01-21 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 (2 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-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885MAPK1 1736/4885L3MBTL1 1536/4885
US-20210017177-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885MAPK1 1736/4885L3MBTL1 1536/4885

“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.