SCHEMBL3203563

SCHEMBL3203563

CC(C)(CCCCO)OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ARG2 P78540 1/20 0.34
GAA P10253 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
ALOX15 P16050 1/20 0.30
POLB P06746 1/20 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
SCHEMBL27568612 0.98 CYP4F2 (0.46) CYP4F2CYP4A11TDP1LMNAHSD17B10
SCHEMBL28212418 0.98 CYP4F2 (0.46) CYP4F2CYP4A11TDP1LMNAHSD17B10
SCHEMBL27535729 0.98 CYP4F2 (0.40) CYP4F2CYP4A11TDP1LMNAHSD17B10
SCHEMBL28507146 0.85 LMNA (0.38) CYP4F2CYP4A11TDP1LMNAHSD17B10
SCHEMBL27403746 0.83 LMNA (0.42) LMNAHSD17B10
SCHEMBL27696459 0.83 FDPS (0.36) TDP1LMNAHSD17B10GAAFFAR1
SCHEMBL28320076 0.83 SOAT1 (0.34) TDP1LMNAHSD17B10GAAFFAR1
SCHEMBL12274381 0.82 SMPD1 (0.42) LMNAHSD17B10
SCHEMBL29637097 0.82 SMPD1 (0.42) LMNAHSD17B10
SCHEMBL3449200 0.82 LMNA (0.33) LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023823-A1 BRANCHED REACTIVE BLOCKED PREPOLYMERS FOR ADDITIVE MANUFACTURING CARBON, INC. (US) 2020-01-30 WO disclosed
CN-107474050-B 6,7- dihydro-pyrazolos [1,5-a] pyrazine -4 (5H) -one compound 詹森药业有限公司 2019-09-10 CN disclosed
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2019-02-19 US disclosed
CN-104039356-B For chitosan targeted delivery and that small molecule integrin antagonist is covalently attached 弗·哈夫曼-拉罗切有限公司 2018-08-17 CN disclosed
CN-105263935-B 6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of the MG L UR2 receptor 詹森药业有限公司 2018-02-27 CN disclosed
CN-107474050-A 6,7 dihydro-pyrazolos [1,5 a] pyrazine 4 (5H) assimilation compound 詹森药业有限公司 2017-12-15 CN disclosed
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-9688691-B2 Macrocyclic quinazole derivatives and their use as MTKI JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
CN-104144706-B Integrin antagonist conjugates for targeted delivery to alpha-V-beta-3 expressing cells 弗·哈夫曼-拉罗切有限公司 2017-03-29 CN disclosed
EP-2044084-B1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 US disclosed
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN-CILAG (FR) 2010-06-17 US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 US disclosed
CN-101421256-A Thiadiazolidinone inhibitors of ptpase NOVARTIS AG (CH) 2009-04-29 CN disclosed
EP-2044084-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-08 EP disclosed
WO-2008006884-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-17 WO disclosed
EP-1828201-A2 MACROCYCLIC QUINAZOLINE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-05 EP disclosed
CN-1874769-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2006-12-06 CN disclosed
WO-2006061417-A2 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 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 (4 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-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES NR4A3, NR4A1, NR5A2 CYP4F2 163/4885CYP4A11 61/4885TDP1 4708/4885
US-20100152174-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR1I2, NR3C2 CYP4F2 115/4885CYP4A11 66/4885TDP1 4745/4885
US-20170320894-A1 MACROCYCLIC QUINAZOLE DERIVATIVES AND THEIR USE AS MTKI NR1I3, NR3C2, NR1I2 CYP4F2 144/4885CYP4A11 106/4885TDP1 4773/4885
US-10208062-B2 Macrocyclic quinazole derivatives and their use as MTKI NR1I3, NR3C2, NR1I2 CYP4F2 144/4885CYP4A11 106/4885TDP1 4773/4885

“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.