SCHEMBL20208296

SCHEMBL20208296

CC(C)N1C(=O)CC(c2ccccc2)C1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.51
▸ HSD17B2 P37059 10/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ATM Q13315 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
SCHEMBL13547533 0.82 MDM2 (0.53) HSD17B2
SCHEMBL13547532 0.78 MDM2 (0.40) SIGMAR1HSD17B2TSHR
SCHEMBL10689152 0.70 LMNA (0.55) HRH3KMT2AALDH1A1ATM
SCHEMBL1904422 0.70 SIGMAR1 (0.79) SIGMAR1HSD17B2
SCHEMBL12491341 0.70 SIGMAR1 (0.79) SIGMAR1HSD17B2
SCHEMBL11993135 0.69 SIGMAR1 (0.77) SIGMAR1HSD17B2
SCHEMBL23562146 0.69 CHRNB2 (0.45) BRD4TSHRKMT2AALDH1A1ATM
SCHEMBL1901822 0.68 SIGMAR1 (1.00) SIGMAR1HSD17B2ALDH1A1
SCHEMBL1902449 0.68 SIGMAR1 (1.00) SIGMAR1HSD17B2ALDH1A1
SCHEMBL12490813 0.68 SIGMAR1 (1.00) SIGMAR1HSD17B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 — — 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 (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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 SIGMAR1 4502/4885HSD17B2 1646/4885HRH3 2675/4885

“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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