SCHEMBL20131942

SCHEMBL20131942

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP17A1 P05093 2/20 0.48
▸ PARP10 Q53GL7 1/20 0.46
▸ PARP3 Q9Y6F1 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL418939 0.92 CYP17A1 (0.54) SMN1; SMN2CYP17A1ALDH1A1KDM4ENPC1
SCHEMBL29131710 0.89 HPGD (0.59) HPGDSMN1; SMN2CYP17A1ALDH1A1NPC1
SCHEMBL30108111 0.87 HPGD (0.49) HPGDSMN1; SMN2CYP17A1ALDH1A1NPC1
SCHEMBL26508765 0.87 HPGD (0.49) HPGDSMN1; SMN2CYP17A1ALDH1A1NPC1
SCHEMBL20865538 0.84 CYP17A1 (0.59) HPGDSMN1; SMN2CYP17A1NPC1RAB9A
SCHEMBL23966382 0.83 HPGD (0.53) HPGDSMN1; SMN2CYP17A1ALDH1A1NPC1
SCHEMBL29131712 0.83 HPGD (0.71) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
Toluene SCHEMBL28684301 0.83 CYP17A1 (0.46) SMN1; SMN2CYP17A1ALDH1A1NPC1RAB9A
SCHEMBL20132312 0.83 ALDH1A1 (0.51) HPGDSMN1; SMN2CYP17A1ALDH1A1KDM4E
SCHEMBL8003930 0.82 PPARA (0.49) HPGDSMN1; SMN2CYP17A1ALDH1A1MAPT

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-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2022-11-10 — — US disclosed
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 — — EP disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 — — US disclosed
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof ABBVIE INC. (US) 2020-06-02 — — US disclosed
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2019-08-29 — — US disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — 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 (5 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HPGD 1233/4885SMN1; SMN2 4741/4885CYP17A1 256/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HPGD 1233/4885SMN1; SMN2 4741/4885CYP17A1 256/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R HPGD 1233/4885SMN1; SMN2 4741/4885CYP17A1 256/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HPGD 1233/4885SMN1; SMN2 4741/4885CYP17A1 256/4885
US-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HPGD 1233/4885SMN1; SMN2 4741/4885CYP17A1 256/4885

“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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