SCHEMBL23728437

SCHEMBL23728437

CC1(C)CCc2c(O)[c]c(O)c(C(=O)C=Cc3ccccc3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 8/20 0.47
▸ NFKB2 Q00653 7/20 0.47
▸ RELA Q04206 7/20 0.47
▸ SLC5A1 P13866 1/20 0.40
▸ SLC5A2 P31639 1/20 0.40
▸ MAPT P10636 7/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ KCNA3 P22001 1/20 0.37

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
SCHEMBL23728227 1.00 NFKB1 (0.47) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL12599532 0.83 NFKB1 (0.50) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL25437405 0.76 NFKB1 (0.52) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL25301405 0.74 NFKB1 (0.50) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL17150170 0.74 NFKB1 (0.66) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL25299087 0.72 NFKB1 (0.48) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL25301601 0.70 MAPT (0.52) NFKB1NFKB2RELAMAPTLMNA
SCHEMBL15620334 0.68 NFKB1 (0.48) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL15620335 0.68 NFKB1 (0.48) NFKB1NFKB2RELAMAPTKMT2A
SCHEMBL1286097 0.66 PTGS2 (0.41) LMNACYP19A1CYP3A4CYP1A2HPGD

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
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 — — WO claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 — — 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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB NFKB1 336/4885NFKB2 376/4885RELA 269/4885

“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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