SCHEMBL20439669

SCHEMBL20439669

COC(=O)/C=C/c1cc2c(cc1C)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 6/20 0.61
MAPT P10636 7/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL30970392 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL27273810 0.85 ESR1 (0.46) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL30970390 0.85 ESR1 (0.46) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL672281 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL672283 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL24162249 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL30970409 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL20474213 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL30302255 0.83 AR (0.54) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL14922690 0.83 AR (0.54) ALDH1A1KDM4EMAPTHPGDMEN1

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-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-20220048884-A1 NRF2 ACTIVATOR BIOGEN MA INC. 2022-02-17 US disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 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 (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-20220048884-A1 NRF2 ACTIVATOR NFE2L2, KEAP1, NQO1 ALDH1A1 300/4885KDM4E 3692/4885MAPT 2908/4885

“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.