SCHEMBL3623804

SCHEMBL3623804

COC(=O)Cc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 4/20 0.47
CFD P00746 1/20 0.45
TSHR P16473 1/20 0.44
MAPK8 P45983 1/20 0.43
IDO1 P14902 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AB1 P08238 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL30776972 1.00 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL1554320 0.86 KDM4E (0.53) KDM4ECFDTSHRCYP4F2CYP4A11
SCHEMBL3501336 0.84 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8
SCHEMBL13751481 0.84 KDM4E (0.43) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL24803694 0.84 KDM4E (0.43) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL4413571 0.81 TSHR (0.49) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL5132516 0.81 PKM (0.56) CYP1A2CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL7639873 0.81 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL7929984 0.81 KDM4E (0.47) KDM4ETSHRCYP4F2CYP4A11SMN1; SMN2
SCHEMBL3927306 0.81 KDM4E (0.47) KDM4ECFDTSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
CN-115286605-B Method for synthesizing isochromanone compounds based on carbon monoxide gas or carbon monoxide alternative source 武汉大学 2024-04-09 CN disclosed
CN-117820298-A Preparation method of selective oral plaque kinase inhibitor AMP-945 烟台皓元生物医药科技有限公司 2024-04-05 CN disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
CN-113372184-B Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2023-08-18 CN disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 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-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed
CN-1061407-A Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1992-05-27 CN 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 (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-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CYP1A2 4794/4885CYP2D6 2046/4885CYP2C9 4704/4885
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CYP1A2 4753/4885CYP2D6 1524/4885CYP2C9 4634/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CYP1A2 4794/4885CYP2D6 2046/4885CYP2C9 4704/4885

“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.