SCHEMBL5713410

SCHEMBL5713410

CCOC(=O)c1ccccc1CI

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CDC25B P30305 2/20 0.50
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 1/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7669334 0.87 TSHR (0.71) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL578128 0.87 TSHR (0.77) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL7670783 0.84 TSHR (0.71) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL14627086 0.83 TSHR (0.56) TSHRALDH1A1HSD17B10CDC25BKMT2A
SCHEMBL11590516 0.83 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL22296 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL5306972 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL29404255 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL11591314 0.82 TSHR (0.59) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL11061326 0.82 TSHR (0.69) TSHRALDH1A1HSD17B10CDC25BKDM4E

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 11 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-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP 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
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
CN-1209809-A Noval chemical compound FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-03 CN disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 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 (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 TSHR 3020/4885ALDH1A1 3591/4885HSD17B10 1240/4885

“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.