SCHEMBL14945698

SCHEMBL14945698

CC(C)(C)OC(=O)CN=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30

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
SCHEMBL10512876 0.82 DGAT1 (0.36) DGAT1GAACYP2D6HDAC3HDAC1
SCHEMBL12033651 0.78 DGAT1 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL17643549 0.78 CYP2D6 (0.37) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL14465844 0.76 HDAC3 (0.35) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL14945626 0.76 HDAC1 (0.35) DGAT1GAACYP2D6HDAC3HDAC1
SCHEMBL3283444 0.76 CYP2D6 (0.33) DGAT1GAACYP2D6HDAC3HDAC1
SCHEMBL362095 0.75 HDAC3 (0.34) DGAT1GAACYP2D6HDAC3HDAC1
SCHEMBL2889944 0.75 CYP2D6 (0.35) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL2152110 0.73 CYP2D6 (0.34) DGAT1GAACYP2D6HDAC3HDAC1
SCHEMBL13558775 0.73 HDAC8 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2

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
US-20230257353-A1 IONIZABLE LIPIDOIDS AND THEIR USES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-08-17 US disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (7 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-20230257353-A1 IONIZABLE LIPIDOIDS AND THEIR USES TTR, PYGL, FABP1 DGAT1 730/4885GAA 1893/4885CYP2D6 822/4885
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DGAT1 227/4885GAA 147/4885CYP2D6 2306/4885

“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.