SCHEMBL25833835

SCHEMBL25833835

C[C@@H](NCO)[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
ADRA2C P18825 2/20 0.62
CHRM2 P08172 1/20 0.62
ADRA1A P35348 1/20 0.62
RGS12 O14924 1/20 0.62
GLA P06280 1/20 0.62
PKM P14618 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR2A P28223 1/20 0.62
THPO P40225 1/20 0.62
GNAI1 P63096 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 4/20 0.60
KMT2A Q03164 3/20 0.60

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
SCHEMBL19647113 1.00 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL7063882 0.85 CYP2D6 (0.58) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL6058534 0.85 CYP2D6 (0.58) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL25566099 0.84 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL4267612 0.84 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL25455699 0.84 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL5391439 0.84 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL5172170 0.84 CYP2D6 (0.62) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
Hydrochloric Acid SCHEMBL5172733 0.82 KMT2A (0.63) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C
SCHEMBL22461952 0.81 CYP2D6 (0.58) CYP2D6CYP2C19CYP3A4CYP2C9ADRA2C

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-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS CYP2D6 1514/4885CYP2C19 2963/4885CYP3A4 1943/4885

“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.