SCHEMBL20347397

SCHEMBL20347397

CN1CCC(=O)C(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.44
BRD4 O60885 3/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
ATM Q13315 1/20 0.38
XIAP P98170 1/20 0.38
ADRA2C P18825 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
HTR3A P46098 1/20 0.38
PDE4D Q08499 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
SCHEMBL20347991 0.78 LMNA (0.44) ALDH1A1GFERLMNAATMPRCP
SCHEMBL5315718 0.76 CYP1A2 (0.54) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL3553167 0.74 SIGMAR1 (0.46) KMT2AALDH1A1MAPK1HTR2B
SCHEMBL9171080 0.74 CYP2B6 (0.39) SRD5A1BRD4TSHRKMT2AALDH1A1
SCHEMBL21752126 0.74 DRD1 (0.57) MAPTMAPK1XIAP
SCHEMBL20347981 0.73 DDB1 (0.54) TSHRKMT2AALDH1A1
SCHEMBL7213386 0.72 MAPT (0.50) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL20347921 0.71 CES2 (0.47) TSHRKMT2A
SCHEMBL16203621 0.70 TSHR (0.53) SRD5A1BRD4TSHRKMT2ACHRNB2
SCHEMBL15203830 0.70 TSHR (0.53) SRD5A1BRD4TSHRKMT2ACHRNB2

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-20210340107-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2021-11-04 US disclosed
EP-3875450-A1 NRF2 ACTIVATOR Biogen MA Inc. (US) 2021-09-08 EP disclosed
US-10968181-B2 NRF2 activator BIOGEN MA INC. (US) 2021-04-06 US disclosed
EP-3562816-B1 NRF2 ACTIVATOR BIOGEN MA INC (US) 2021-01-20 EP disclosed
US-20190345112-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2019-11-14 US disclosed
WO-2018125880-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-07-05 WO 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 (3 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-20190345112-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 SRD5A1 1473/4885BRD4 2509/4885TSHR 3246/4885
US-20210340107-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 SRD5A1 1473/4885BRD4 2509/4885TSHR 3246/4885
US-10968181-B2 NRF2 activator NFE2L2, KEAP1, NQO1 SRD5A1 1473/4885BRD4 2509/4885TSHR 3246/4885

“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.