SCHEMBL5713415

SCHEMBL5713415

C[Si](C)(C)CCc1cc(CI)ccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.36
LCK P06239 2/20 0.34
PPARG P37231 1/20 0.34
RARB P10826 3/20 0.33
KAT8 Q9H7Z6 2/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
EGFR P00533 1/20 0.33
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
MMP9 P14780 1/20 0.33
DNMT1 P26358 1/20 0.33
DNMT3B Q9UBC3 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL28615500 0.80 KLKB1 (0.41) PPARALCKTSHREGFRKLKB1
SCHEMBL6236449 0.80 CA12 (0.47) LCKTSHREGFRALDH1A1POLB
SCHEMBL17187944 0.78 KDM4E (0.42) POLB
SCHEMBL17187947 0.76 GABRP (0.35) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL6410000 0.75 KDM4E (0.56) ALDH1A1POLBHSD17B10CFD
SCHEMBL15344558 0.74 PPARA (0.53) PPARALCKPPARGRARBKAT8
SCHEMBL5713427 0.73 HMGB1 (0.40) TSHRSMN1; SMN2ALDH1A1FOLH1HSD17B10
SCHEMBL7675644 0.72 LTB4R (0.60) MCL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL15344634 0.72 PPARA (0.47) PPARAPPARGRARBKAT8MCL1
SCHEMBL7025446 0.72 NR1H4 (0.50) PPARARARBKLKB1CTSBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368381-B1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK AKZO NOBEL NV (NL) 2006-05-03 EP disclosed
US-7026304-B2 2-alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block AKZO NOBEL N.V. (NL) 2006-04-11 US disclosed
US-20040106575-A1 2-Alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block MERCK SHARP & DOHME B.V. (NL) 2004-06-03 US disclosed
EP-1368381-A1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK Akzo Nobel N.V. (NL) 2003-12-10 EP disclosed
WO-2002064635-A1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK AKZO NOBEL N.V. (NL) 2002-08-22 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-20040106575-A1 2-Alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block SCN1B, SCN2B, CHRNB1 PPARA 4691/4885LCK 3733/4885PPARG 4474/4885

“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.