SCHEMBL21500744

SCHEMBL21500744

C=C1CC2(OC1=O)C(=O)N(Cc1ccccc1CN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
SCN9A Q15858 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20322998 0.90 SCN9A (0.47) ALDH1A1SCN9AMAPTSMN1; SMN2HSD17B10
SCHEMBL26930317 0.88 ALDH1A1 (0.51) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL20323007 0.88 LMNA (0.46) ALDH1A1SCN9AL3MBTL1MAPTLMNA
SCHEMBL21500785 0.86 SCN9A (0.44) ALDH1A1SCN9ATP53MAPTSMN1; SMN2
SCHEMBL21500770 0.86 SCN9A (0.44) ALDH1A1SCN9AMAPTSMN1; SMN2HSD17B10
SCHEMBL21500696 0.85 LMNA (0.50) ALDH1A1SCN9AL3MBTL1MAPTLMNA
SCHEMBL20323008 0.85 LMNA (0.53) ALDH1A1SCN9AL3MBTL1MAPTLMNA
SCHEMBL20323149 0.85 ALPL (0.45) ALDH1A1L3MBTL1LMNASMN1; SMN2POLB
SCHEMBL21500694 0.84 LMNA (0.49) ALDH1A1SCN9AL3MBTL1MAPTLMNA
SCHEMBL21500699 0.84 LMNA (0.49) ALDH1A1SCN9AL3MBTL1MAPTLMNA

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-11840540-B2 Dimers of covalent NFKB inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-12-12 US disclosed
US-11840540-B2 Dimers of covalent NFKB inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-12-12 US disclosed
US-20220009941-A1 Dimers of Covalent NFKB Inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-01-13 US disclosed
US-20190322680-A1 Dimers of Covalent NFKB Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-24 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 (3 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-20220009941-A1 Dimers of Covalent NFKB Inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 3908/4885TSHR 3869/4885HTT 2455/4885
US-11840540-B2 Dimers of covalent NFKB inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 3908/4885TSHR 3869/4885HTT 2455/4885
US-20190322680-A1 Dimers of Covalent NFKB Inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 4048/4885TSHR 3832/4885HTT 2383/4885

“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.