SCHEMBL2893597

SCHEMBL2893597

O=Cc1ccc(OC2CCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ACACB O00763 5/20 0.41
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 7/20 0.39
KCNH2 Q12809 1/20 0.39
ACACA Q13085 1/20 0.38
NAMPT P43490 1/20 0.38
CHRNA7 P36544 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL14721607 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EACACBLOX
SCHEMBL23147699 0.93 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EPOLBHRH3
SCHEMBL30222191 0.93 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EPOLBHRH3
SCHEMBL30484274 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EACACBPOLB
SCHEMBL26458925 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EACACBPOLB
SCHEMBL29956954 0.86 TDO2 (0.45) ALDH1A1L3MBTL1KDM4EPOLBHRH3
SCHEMBL28430679 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EACACBPOLB
SCHEMBL2004014 0.84 HRH3 (0.58) HRH3KCNH2
SCHEMBL16381927 0.83 LOX (0.41) ACACBLOXLOXL2HRH3KCNH2
SCHEMBL28522216 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EACACBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 EP claimed
CN-102015993-B Encapsulated benefit agent UNILEVER PLC 2013-03-27 CN claimed
CN-102015993-A Encapsulated benefit agent UNILEVER PLC 2011-04-13 CN claimed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON INC. 2019-08-29 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 US disclosed
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY PLEXXIKON INC. 2011-09-22 US disclosed
CN-102015993-A Encapsulated benefit agent UNILEVER PLC 2011-04-13 CN disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 US disclosed
US-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 US disclosed
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 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 (9 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 ALDH1A1 2424/4885L3MBTL1 1743/4885KDM4E 1552/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ALDH1A1 3670/4885L3MBTL1 942/4885KDM4E 317/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 ALDH1A1 1818/4885L3MBTL1 3620/4885KDM4E 2463/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ALDH1A1 1723/4885L3MBTL1 2335/4885KDM4E 1909/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 ALDH1A1 1723/4885L3MBTL1 2335/4885KDM4E 1909/4885
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS GPR119, GIPR, GPR39 ALDH1A1 1738/4885L3MBTL1 4822/4885KDM4E 2585/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ALDH1A1 3670/4885L3MBTL1 942/4885KDM4E 317/4885
US-20110230482-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY KIT, FLT3, FER ALDH1A1 2313/4885L3MBTL1 2621/4885KDM4E 1698/4885
US-20190263800-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 ALDH1A1 1879/4885L3MBTL1 3499/4885KDM4E 2409/4885

“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.