SCHEMBL22877348

SCHEMBL22877348

COC(=O)CC1Oc2ccccc2C1C(C(=O)OC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL22877184 0.91 POLB (0.44) ALDH1A1SMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL26429710 0.88 L3MBTL1 (0.38) TSHREGFRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26429458 0.86 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL26705254 0.86 POLB (0.42) ALDH1A1SMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL22877375 0.79 POLB (0.40) EGFRALDH1A1POLBLMNAGAA
SCHEMBL22877204 0.79 POLB (0.40) EGFRALDH1A1POLBLMNAGAA
SCHEMBL26705039 0.73 POLB (0.39) EGFRALDH1A1POLBLMNAGAA
SCHEMBL26429346 0.71 CYP2D6 (0.39) ALDH1A1CYP3A4
SCHEMBL22877140 0.71 POLB (0.41) TSHRALDH1A1L3MBTL1POLBKMT2A
SCHEMBL22877195 0.70 POLB (0.38) EGFRALDH1A1SMN1; SMN2POLBMAPT

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-20230339879-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS NORTHWESTERN UNIVERSITY 2023-10-26 US disclosed
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 (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-20210009547-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS TYR, ME1, PNPO TSHR 861/4885EGFR 1971/4885ALDH1A1 444/4885
US-11639340-B2 Substituted chromanes, analogs thereof, and methods of use and synthesis TYR, ME1, PNPO TSHR 861/4885EGFR 1971/4885ALDH1A1 444/4885
US-20230339879-A1 SUBSTITUTED CHROMANES, ANALOGS THEREOF, AND METHODS OF USE AND SYNTHESIS TYR, ME1, PNPO TSHR 861/4885EGFR 1971/4885ALDH1A1 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.