SCHEMBL22877375

SCHEMBL22877375

COC(=O)C[C@H]1COc2ccccc2C1C(C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
CYP2D6 P10635 9/20 0.39
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 8/20 0.39
EGFR P00533 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PSMB5 P28074 1/20 0.38
SLC6A3 Q01959 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL22877204 1.00 POLB (0.40) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL26705039 0.94 POLB (0.39) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL22877140 0.92 POLB (0.41) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL22877195 0.91 POLB (0.38) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL26429346 0.90 CYP2D6 (0.39) ALDH1A1CYP2D6SLC6A2SLC6A4LTB4R
SCHEMBL26704684 0.90 ALDH1A1 (0.39) POLBGAAALDH1A1NPSR1CYP2D6
SCHEMBL26429627 0.89 POLB (0.40) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL26429715 0.89 POLB (0.40) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL22877159 0.89 LTB4R (0.42) POLBGAAALDH1A1LTB4RLTB4R2
SCHEMBL22877197 0.85 GAA (0.38) GAALTB4RLTB4R2LMNA

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-11639340-B2 Substituted chromanes, analogs thereof, and methods of use and synthesis NORTHWESTERN UNIVERSITY (US) 2023-05-02 US disclosed
US-20210009547-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS NORTHWESTERN UNIVERSITY (US) 2021-01-14 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-20210009547-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS TYR, ME1, PNPO POLB 1799/4885GAA 130/4885ALDH1A1 444/4885
US-11639340-B2 Substituted chromanes, analogs thereof, and methods of use and synthesis TYR, ME1, PNPO POLB 1799/4885GAA 130/4885ALDH1A1 444/4885

“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.