SCHEMBL8496404

SCHEMBL8496404

CC(C)(O)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA2 P00918 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HSD11B1 P28845 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PGR P06401 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HSP90B1 P14625 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL30530489 1.00 ALDH1A1 (0.41) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL31375632 0.84 ALDH1A1 (0.32) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL5176040 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL27763772 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL2059781 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL29506834 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL2876002 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTCYP2C19
SCHEMBL29720793 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTCYP2C19
SCHEMBL13714189 0.78 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MEN1MAPT
Water SCHEMBL722703 0.77 ALDH1A1 (0.48) ALDH1A1TSHRTDP1MAPTCYP2C19

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-11-26 US claimed
CN-112430177-B Synthesis method of montelukast sodium intermediate 凯特立斯(深圳)科技有限公司 2023-08-25 CN disclosed
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 US disclosed
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 US disclosed
CN-112430177-A Synthesis method of montelukast sodium intermediate 凯特立斯(深圳)科技有限公司 2021-03-02 CN disclosed
EP-3180324-B1 HYPERVALENT IODINE CF2CF2X REAGENTS AND THEIR USE ETH ZUERICH (CH) 2020-11-25 EP disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 US disclosed
US-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use ETH ZURICH (CH) 2020-06-02 US disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 US disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 US disclosed
WO-2013051024-A2 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-04-11 WO disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP 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 (6 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-10669250-B2 Hypervalent iodine CF2CF2X reagents and their use TPO, FANCF, FANCI ALDH1A1 4122/4885TSHR 14/4885TDP1 3789/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 ALDH1A1 778/4885TSHR 490/4885TDP1 3628/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 778/4885TSHR 490/4885TDP1 3628/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 1123/4885TSHR 834/4885TDP1 3961/4885
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 ALDH1A1 2177/4885TSHR 2596/4885TDP1 4737/4885
US-10487099-B2 Synthesis of hypervalent iodine reagents with dioxygen TPO, HAO2, OGFOD1 ALDH1A1 1554/4885TSHR 21/4885TDP1 3316/4885

“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.