SCHEMBL20919657

SCHEMBL20919657

COC(=O)c1cccc(OCC(=O)O)c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL19068587 0.86 HTT (0.54) SMN1; SMN2POLBALDH1A1KDM4ESLC6A3
SCHEMBL1280991 0.85 POLB (0.64) SMN1; SMN2POLBL3MBTL1GLAALDH1A1
SCHEMBL23868441 0.85 ALDH1A1 (0.49) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL21543727 0.84 HCRTR1 (0.51) SMN1; SMN2L3MBTL1GLAALDH1A1KDM4E
SCHEMBL18493737 0.82 HSD17B10 (0.48) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL1097551 0.82 SGMS2 (0.54) SMN1; SMN2L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL20919582 0.81 DDB1 (0.42) SMN1; SMN2POLBALDH1A1HPGDSLC6A3
SCHEMBL30211189 0.81 DDB1 (0.42) SMN1; SMN2POLBALDH1A1HPGDSLC6A3
SCHEMBL21543887 0.81 ALDH1A1 (0.46) SMN1; SMN2GLAALDH1A1KDM4EHPGD
SCHEMBL9774310 0.80 POLB (0.57) SMN1; SMN2POLBL3MBTL1GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505560-B2 Heterobifunctional compounds with improved specificity DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-11-22 — — US disclosed
US-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-06 — — US disclosed
US-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-06 — — US disclosed
EP-3676268-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 Dana-Farber Cancer Institute, Inc. (US) 2020-07-08 — — EP disclosed
WO-2019079701-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 — — WO disclosed
WO-2019079701-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITYFOR THE BROMODOMAIN OF BRD4 DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 — — WO 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-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY MDM2, STUB1, UBE3C SMN1; SMN2 2871/4885POLB 3290/4885L3MBTL1 744/4885
US-11505560-B2 Heterobifunctional compounds with improved specificity MDM2, STUB1, UBE3C SMN1; SMN2 2871/4885POLB 3290/4885L3MBTL1 744/4885

“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.

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