SCHEMBL21673028

SCHEMBL21673028

CC1=CC[C@H]2[C@@H](OC(=O)C[C@@H]2N)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS2R31 P59538 2/20 0.35
TAS2R46 P59540 2/20 0.35
TAS2R10 Q9NYW0 2/20 0.35
CYP19A1 P11511 2/20 0.33
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21673032 0.83 TAS2R46 (0.38) TAS2R31TAS2R46TAS2R10CYP19A1MAPK1
SCHEMBL21673029 0.83 TAS2R46 (0.38) TAS2R31TAS2R46TAS2R10CYP19A1MAPK1
SCHEMBL24778956 0.83 TAS2R46 (0.38) TAS2R31TAS2R46TAS2R10CYP19A1MAPK1
SCHEMBL21673015 0.81 TAS2R31 (0.34) TAS2R31TAS2R46TAS2R10CYP19A1MAPK1
SCHEMBL21673019 0.73
SCHEMBL21673011 0.68 PTPN11 (0.58)
SCHEMBL8288848 0.62
SCHEMBL5831602 0.62
SCHEMBL8286745 0.62
SCHEMBL4437388 0.58

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814396-B2 Sesquiterpenoid analogs PURDUE RESEARCH FOUNDATION (US) 2023-11-14 US disclosed
US-11518770-B2 Sesquiterpenoid analogs PURDUE RESEARCH FOUNDATION (US) 2022-12-06 US disclosed
US-20200040000-A1 NOVEL SESQUITERPENOID ANALOGS PURDUE RESEARCH FOUNDATION (US) 2020-02-06 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 (3 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-11814396-B2 Sesquiterpenoid analogs POLE3, DUSP3, STK3 TAS2R31 4524/4885TAS2R46 4226/4885TAS2R10 4621/4885
US-11518770-B2 Sesquiterpenoid analogs POLE3, DUSP3, STK3 TAS2R31 4524/4885TAS2R46 4226/4885TAS2R10 4621/4885
US-20200040000-A1 NOVEL SESQUITERPENOID ANALOGS POLE3, DUSP3, TP53 TAS2R31 4484/4885TAS2R46 4147/4885TAS2R10 4565/4885

“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.