SCHEMBL21762358

SCHEMBL21762358

Cc1cc2cc(CC(C)(C)C(=O)O)n(C)c2nn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PTGES2 Q9H7Z7 4/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TBXA2R P21731 1/20 0.30
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL29981669 0.76 MEN1 (0.35) CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL10326099 0.70 MCL1 (0.51) POLB
SCHEMBL21714067 0.66 ALDH1A1 (0.36) POLBKDM4EL3MBTL1ALDH1A1CYP3A4
SCHEMBL28988937 0.63 POLB (0.42) POLBKDM4EL3MBTL1MAPTCYP2C9
SCHEMBL31681888 0.63 POLB (0.42) POLBKDM4EL3MBTL1MAPTCYP2C9
SCHEMBL21713920 0.63 — —
SCHEMBL21745177 0.61 TTR (0.40) KDM4EMAPTCYP3A4
SCHEMBL21713771 0.61 — —
SCHEMBL22186481 0.59 KDM4E (0.56) POLBKDM4EL3MBTL1MAPTPTGES2
SCHEMBL24510621 0.57 KDM4E (0.61) POLBKDM4EL3MBTL1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 — — US disclosed
US-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 — — US disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 — — 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 (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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 POLB 2535/4885KDM4E 2942/4885L3MBTL1 2473/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 POLB 2535/4885KDM4E 2942/4885L3MBTL1 2473/4885

“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.

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