SCHEMBL22602000

SCHEMBL22602000

CNc1cccc(Cc2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
APP P05067 1/20 0.41
SLC5A2 P31639 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
RAB9A P51151 2/20 0.41
NLRP3 Q96P20 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
LTA4H P09960 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8732128 0.88 TSHR (0.46) SAE1UBA2APPRAPGEF4SMN1; SMN2
SCHEMBL18905641 0.88 TSHR (0.48) SAE1UBA2APPRAPGEF4HTT
SCHEMBL24146817 0.86 MAPT (0.48) SAE1UBA2SLC5A2RAPGEF4RAB9A
SCHEMBL12707605 0.86 TSHR (0.54) APPCYP3A4MAPTTSHRLTA4H
SCHEMBL22898313 0.82 TDP1 (0.42) SAE1UBA2SLC5A2RAPGEF4RAB9A
SCHEMBL15694827 0.79 CALM1 (0.55) SLC5A2RAB9ANPC1SMN1; SMN2HTT
SCHEMBL11087087 0.79 LTA4H (0.53) SAE1UBA2SLC5A2RAB9ANPC1
SCHEMBL12852535 0.79 CYP17A1 (0.49) SMN1; SMN2HTTCYP3A4MAPTTSHR
SCHEMBL18951277 0.79 MAPT (0.48) SAE1UBA2APPRAB9ANPC1
Hydrochloric Acid SCHEMBL28230977 0.79 LTA4H (0.59) SAE1UBA2APPSLC5A2NLRP3

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 4 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
EP-3884962-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-09-29 EP disclosed
EP-3658192-B1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC (US) 2021-04-28 EP disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 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 (1 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-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R SAE1 1634/4885UBA2 2227/4885APP 4433/4885

“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.