SCHEMBL3200550

SCHEMBL3200550

CCN(CC)c1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
BACE1 P56817 2/20 0.61
NOX1 Q9Y5S8 1/20 0.47
ERN1 O75460 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6438701 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1BACE1CA9SMN1; SMN2
SCHEMBL10791087 0.88 BACE1 (0.48) ALDH1A1L3MBTL1BACE1ERN1HDAC8
SCHEMBL10009490 0.87 BACE1 (0.49) ALDH1A1L3MBTL1BACE1ERN1HDAC8
SCHEMBL3218793 0.87 ALDH1A1 (0.68) ALDH1A1L3MBTL1BACE1HDAC8CA9
SCHEMBL17192798 0.86 BACE1 (0.50) ALDH1A1L3MBTL1BACE1ERN1HDAC8
SCHEMBL18155193 0.86 BACE1 (0.58) ALDH1A1L3MBTL1BACE1NOX1HDAC8
SCHEMBL11934279 0.85 BACE1 (0.48) ALDH1A1L3MBTL1BACE1ERN1HDAC8
SCHEMBL3220878 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1BACE1CA9KMT2A
SCHEMBL3200647 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1BACE1CA9SMN1; SMN2
SCHEMBL20954457 0.84 BACE1 (0.48) ALDH1A1L3MBTL1BACE1ERN1HDAC8

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
EP-2698368-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2018-02-14 EP disclosed
US-9468632-B2 Methods and compositions for targeting cancer stem cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-18 US disclosed
US-9468632-B2 Methods and compositions for targeting cancer stem cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-18 US disclosed
CN-103717588-B Pyrazole derivatives 绿色科技株式会社 2016-08-03 CN disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20150297577-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-10-22 US disclosed
US-20150297577-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-10-22 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
CN-1829736-A severe acute respiratory syndrome coronavirus CHIRON CORP (US) 2006-09-06 CN 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 253/4885L3MBTL1 2164/4885BACE1 1/4885
US-20150297577-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS MCL1, CD44, TP53 ALDH1A1 268/4885L3MBTL1 2316/4885BACE1 3608/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 ALDH1A1 675/4885L3MBTL1 4133/4885BACE1 8/4885

“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.