SCHEMBL26324855

SCHEMBL26324855

CC(C)OC(=O)C(O)(O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HCAR2 Q8TDS4 1/20 0.34
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 3/20 0.32
ADRA1A P35348 2/20 0.32
USP2 O75604 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB3 P13945 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL7240623 0.79 TSHR (0.43) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL20564587 0.78 TSHR (0.48) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL448528 0.76 TSHR (0.46) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL235499 0.76 TSHR (0.46) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL5512678 0.74 TSHR (0.43) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL6063978 0.72 TSHR (0.48) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL2478389 0.72 TSHR (0.48) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL12886372 0.72 TSHR (0.42) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL29113995 0.72 TSHR (0.42) TSHRMEN1KMT2AHCAR2CYP2C19
SCHEMBL5075351 0.71 MEN1 (0.34) TSHRMEN1KMT2AHCAR2SMN1; SMN2

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 TSHR 2716/4885MEN1 296/4885KMT2A 127/4885

“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.