SCHEMBL20131980

SCHEMBL20131980

COc1cc(C=O)ccc1Cc1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.47
FDPS P14324 1/20 0.46
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL23927433 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAOAMAOBNPC1
SCHEMBL13521532 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL20132283 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAOAMAOBRAB9A
SCHEMBL20546651 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAOAMAOBNPC1
SCHEMBL23953422 0.76 AR (0.44) ALDH1A1SMN1; SMN2MAOBKDM4ECNR2
SCHEMBL29452432 0.75 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL13644446 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL30271611 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL24788860 0.72 TTR (0.51) ALDH1A1SMN1; SMN2MAOAMAOBNPC1
SCHEMBL25228293 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPC1MAPTHTT

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 5 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
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 3434/4885SMN1; SMN2 4741/4885MAOA 4427/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885SMN1; SMN2 4741/4885MAOA 4427/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R ALDH1A1 3434/4885SMN1; SMN2 4741/4885MAOA 4427/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3434/4885SMN1; SMN2 4741/4885MAOA 4427/4885

“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.