SCHEMBL7091090

SCHEMBL7091090

CC(C)(C)c1ccc(-c2cccc3cc[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
NR3C1 P04150 2/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
BRD4 O60885 3/20 0.40
REN P00797 2/20 0.40
KEAP1 Q14145 1/20 0.38
CREBBP Q92793 1/20 0.37
PDPK1 O15530 1/20 0.37
BTK Q06187 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24034931 0.81 AHR (0.46) AHRNR3C1PGRNR3C2AR
SCHEMBL594405 0.78 AHR (0.50) AHRNR3C1PGRNR3C2AR
SCHEMBL27077416 0.78 DGAT1 (0.45) BRD4HDAC6BRD9KIF11NPC1
SCHEMBL27487511 0.77 AHR (0.46) AHRNR3C1RENKEAP1PDPK1
SCHEMBL6089266 0.77 AHR (0.46) AHRNR3C1RENKEAP1PDPK1
SCHEMBL5659443 0.77 REN (0.49) AHRNR3C1PGRNR3C2AR
SCHEMBL7084949 0.77 MAPT (0.46) AHRNR3C1PGRNR3C2AR
SCHEMBL31492457 0.75 AHR (0.60) AHRNR3C1PGRNR3C2AR
SCHEMBL5662384 0.74 KEAP1 (0.46) AHRNR3C1PGRNR3C2AR
SCHEMBL18000230 0.74 PIK3CD (0.54) AHRNR3C1RENKEAP1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 US disclosed
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 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 (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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 AHR 379/4885NR3C1 162/4885PGR 1624/4885
US-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 AHR 4529/4885NR3C1 3883/4885PGR 2243/4885

“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.