SCHEMBL31010261

SCHEMBL31010261

CC(O)CN(CC(C)O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ESRRG P62508 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
SLC6A2 P23975 2/20 0.38
APP P05067 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL6055459 0.84 ESRRG (0.49) TYRESR1ESR2PDCD1CD274
SCHEMBL83496 0.83 CYP2C19 (0.44) CRHBPCRHR2TLR9SLC6A2TDP1
SCHEMBL22461658 0.81 AOC3 (0.43) CRHBPCRHR2TLR9SLC6A2LMNA
SCHEMBL22421588 0.81 AOC3 (0.43) CRHBPCRHR2TLR9SLC6A2LMNA
SCHEMBL11165549 0.81 TSHR (0.46) CRHBPCRHR2TLR9ESR1ESR2
SCHEMBL338524 0.80 POLB (0.44) CRHBPCRHR2TLR9SLC6A2LMNA
SCHEMBL20717748 0.79 NR3C1 (0.41) CRHBPCRHR2TLR9SMN1; SMN2
SCHEMBL11570799 0.78 HPGD (0.50) CRHBPCRHR2TLR9ESR1ESR2
SCHEMBL29528493 0.78 AOC3 (0.46) ESR2SLC6A2CYP1A2CYP2D6MAPT
SCHEMBL9800561 0.77 CRHBP (0.36) CRHBPCRHR2TLR9

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-20240247189-A1 AROMATIC AMINE EPOXIDE ADDUCTS FOR CORROSION INHIBITION ECOLAB USA INC. 2024-07-25 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-20240247189-A1 AROMATIC AMINE EPOXIDE ADDUCTS FOR CORROSION INHIBITION ITGA8, ADGRE5, CD59 TYR 55/4885CRHBP 4587/4885CRHR2 1366/4885

“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.