SCHEMBL21029914

SCHEMBL21029914

CC1=C2CCCC3(OCCO3)[C@@]2(C)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ SHBG P04278 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL20278030 1.00 CYP3A4 (0.33) CYP3A4NR3C1SHBGMAPTALOX15
SCHEMBL12162287 0.90 CYP3A4 (0.35) CYP3A4NR3C1SHBGMAPTALOX15
SCHEMBL13706117 0.78 — —
SCHEMBL4235455 0.75 — —
SCHEMBL12179478 0.71 ESR1 (0.31) —
SCHEMBL16842368 0.70 MAPT (0.30) MAPT
SCHEMBL267390 0.69 NR3C1 (0.41) CYP3A4NR3C1SHBG
SCHEMBL11636367 0.69 NR3C1 (0.41) CYP3A4NR3C1SHBG
SCHEMBL1880354 0.69 NR3C1 (0.41) CYP3A4NR3C1SHBG
SCHEMBL2502530 0.67 — —

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-11465963-B2 Tetrahydronaphthalene derivatives useful as Nrf2 activators BIOGEN MA INC. (US) 2022-10-11 — — US disclosed
US-20200299230-A1 TETRAHYDRONAPHTHALENE DERIVATIVES USEFUL AS NRF2 ACTIVATORS BIOGEN MA INC. 2020-09-24 — — US disclosed
WO-2019104030-A1 TETRAHYDRONAPHTHALENE DERIVATIVES USEFUL AS NRF2 ACTIVATORS BIOGEN MA INC. (US) 2019-05-31 — — 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-20200299230-A1 TETRAHYDRONAPHTHALENE DERIVATIVES USEFUL AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 CYP3A4 265/4885NR3C1 486/4885SHBG 3405/4885
US-11465963-B2 Tetrahydronaphthalene derivatives useful as Nrf2 activators NFE2L2, KEAP1, NQO1 CYP3A4 265/4885NR3C1 486/4885SHBG 3405/4885

“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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