SCHEMBL20132283

SCHEMBL20132283

O=Cc1ccc(Cc2cccc(Br)c2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 2/20 0.45
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
AOX1 Q06278 1/20 0.37
BACE1 P56817 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
SCHEMBL20131980 0.79 ALDH1A1 (0.67) ALDH1A1MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL28646144 0.76 KMT2A (0.46) ALDH1A1MAOAMAOBSMN1; SMN2ALOX5
SCHEMBL2642175 0.75 KEAP1 (0.53) MAOAMAOBALOX5KDM4EPTGS2
SCHEMBL23927433 0.73 ALDH1A1 (0.50) ALDH1A1MAOAMAOBSMN1; SMN2KDM4E
SCHEMBL20132261 0.71 HDAC3 (0.45)
SCHEMBL5521189 0.70 KDM4E (0.59) ALDH1A1KDM4EPTGS2RAB9AAOX1
SCHEMBL3431177 0.70 KDM4E (0.59) ALDH1A1KDM4EPTGS2RAB9AAOX1
SCHEMBL14540315 0.70 KDM4E (0.46) ALDH1A1SMN1; SMN2ALOX5KDM4EPTGS2
SCHEMBL26988879 0.69 MAOB (0.59) ALDH1A1MAOAMAOBSMN1; SMN2RAB9A
SCHEMBL29391648 0.69

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
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
CN-109476699-A Glucocorticoid receptor agonist and its immune conjugate 艾伯维公司 2019-03-15 CN 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 (4 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 ALDH1A1 3434/4885MAOA 4427/4885MAOB 4732/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885MAOA 4427/4885MAOB 4732/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R ALDH1A1 3434/4885MAOA 4427/4885MAOB 4732/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885MAOA 4427/4885MAOB 4732/4885

“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.