SCHEMBL4026767

SCHEMBL4026767

CC(C)(C)OC(=O)CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.42
CTSK P43235 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
HTR4 Q13639 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
SCHEMBL28351674 0.98 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL303434 0.98 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4180063 0.96 CTSK (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3799622 0.91 PLA2G10 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27147241 0.91 PLA2G10 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3470166 0.91 PLA2G10 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10316747 0.87 CTSK (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4774700 0.87 ALOX15 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14312161 0.86 SIGMAR1 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15199218 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675731-A Small molecule conjugate of targeted cyclin-dependent kinase 12/13 and application thereof 浙江大学 2023-09-01 CN disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
CN-104395301-B Bicyclic thiophene base amide compound 霍夫曼-拉罗奇有限公司 2017-07-28 CN disclosed
US-20170183345-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
US-8728707-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-20130022909-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20130022909-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
US-20120219899-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120219899-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2009093009-A1 FUSED TRICYCLIC THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
EP-1757628-A1 LACTONE COPOLYMER AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2007-02-28 EP disclosed
EP-0121244-B1 CEPHALOSPORIN DERIVATIVES Bristol-Myers Company (US) 1990-09-12 EP disclosed
US-4525473-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1985-06-25 US disclosed
EP-0121244-A2 Cephalosporin derivatives Bristol-Myers Company (US) 1984-10-10 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 (2 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA ALDH1A1 317/4885SMN1; SMN2 674/4885MEN1 3836/4885
US-20170183345-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 ALDH1A1 1830/4885SMN1; SMN2 4129/4885MEN1 4752/4885

“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.