SCHEMBL6848535

SCHEMBL6848535

CC(C)CCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
GAA P10253 1/20 0.63
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
NPSR1 Q6W5P4 4/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 2/20 0.45
MAPT P10636 2/20 0.44
CAPN1 P07384 1/20 0.43
KCNA5 P22460 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL24664899 1.00 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL12341542 0.98 MEN1 (0.65) TDP1MEN1KMT2AGAAMAOA
SCHEMBL14405152 0.93 MEN1 (0.72) TDP1MEN1KMT2AGAAMAOA
SCHEMBL18857298 0.90 TDP1 (0.67) TDP1MEN1KMT2AGAAMAOA
SCHEMBL4378110 0.88 TDP1 (0.65) TDP1MEN1KMT2AGAAMAOA
SCHEMBL137629 0.87 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3025184 0.87 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL134329 0.87 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL5162656 0.87 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA
SCHEMBL136815 0.87 TDP1 (0.85) TDP1MEN1KMT2AGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461835-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ContraVir Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
EP-2457923-B1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-01-27 EP disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
EP-2457923-A1 STEROL DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2012-05-30 EP disclosed
US-7893265-B2 Imidation of derivatives of anthracene-2,3:6,7-dianhydride, napthalene-1,4:5,8-dianhydride, or perylene-3,4:9,10-anhydride with primary amine to perylene-bis(dicarboximide)s, naphthalene-bis(dicarboximide)s, and anthracene-bis(dicarboximide)s and/or coronene-bis(dicarboximide)s; electronics, composites POLYERA CORPORATION (US) 2011-02-22 US disclosed
WO-2011010682-A1 STEROL DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-01-27 WO disclosed
US-20080177073-A1 Methods for preparing arene-BIS (dicarboximide)-based semiconducting materials and related intermediates for preparing same USINVEST LLC 2008-07-24 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 (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-20080177073-A1 Methods for preparing arene-BIS (dicarboximide)-based semiconducting materials and related intermediates for preparing same RECQL, CCNE2, CCNE1 TDP1 2134/4885MEN1 658/4885KMT2A 1140/4885
US-20120172348-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 TDP1 3878/4885MEN1 1732/4885KMT2A 3380/4885
US-20150119585-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 TDP1 3878/4885MEN1 1732/4885KMT2A 3380/4885

“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.