SCHEMBL1854840

SCHEMBL1854840

COC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
PARP10 Q53GL7 1/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GLA P06280 1/20 0.53
STS P08842 1/20 0.53
TSHR P16473 1/20 0.52
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51

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
SCHEMBL22507148 0.90 ACACB (0.58) KMT2ACA1CA2PARP10MEN1
SCHEMBL6548631 0.88 CA1 (0.64) KMT2ACA1CA2PARP10MEN1
SCHEMBL6285461 0.86 CA1 (0.62) KMT2ACA1CA2PARP10MEN1
SCHEMBL31343186 0.86 KMT2A (0.68) KMT2ACA1CA2PARP10MEN1
SCHEMBL24943239 0.85 CA1 (0.60) KMT2ACA1CA2MEN1MAPT
SCHEMBL6616955 0.85 CA1 (0.60) KMT2ACA1CA2MEN1MAPT
SCHEMBL4368311 0.84 CA12 (0.66) KMT2ACA1CA2PARP10MEN1
SCHEMBL8984330 0.84 KMT2A (0.66) KMT2APARP10MEN1MAPTSMN1; SMN2
SCHEMBL4261434 0.83 MEN1 (0.71) KMT2ACA1CA2MEN1MAPT
SCHEMBL28583976 0.83 KMT2A (0.67) KMT2ACA1CA2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573453-B Selective of Carboxylic ester cleavage process 荆楚理工学院 2024-12-03 CN disclosed
WO-2024103126-A1 TSPO LIGANDS THE UNIVERSITY OF SYDNEY (AU) 2024-05-23 WO disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
CN-114315844-B FXR regulator and preparation method and application thereof 中国科学院上海药物研究所 2023-06-27 CN disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
CN-114573453-A Selective carboxylic ester cracking method 荆楚理工学院 2022-06-03 CN disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
WO-2008134734-A2 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 WO disclosed
WO-2008106657-A2 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-09-04 WO disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed
CN-101023057-A Certain chemicals, compositions, and methods CYTOKINETICS INC (US) 2007-08-22 CN disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
WO-2006012504-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS DAIAMED, INC. (US) 2006-02-02 WO disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 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 (8 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 KMT2A 978/4885CA1 2706/4885CA2 1527/4885
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT KMT2A 3424/4885CA1 1605/4885CA2 1666/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 KMT2A 1411/4885CA1 1194/4885CA2 988/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 KMT2A 3544/4885CA1 4238/4885CA2 4222/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885CA1 4870/4885CA2 4606/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885CA1 4870/4885CA2 4606/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KMT2A 4024/4885CA1 4870/4885CA2 4606/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885CA1 4870/4885CA2 4606/4885

“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.