SCHEMBL515194

SCHEMBL515194

CC(N)C(O)c1ccccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
AKR1C3 P42330 1/20 0.43
LMNA P02545 3/20 0.43
NSD2 O96028 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL5337121 0.87 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL524503 0.86 KEAP1 (0.44) L3MBTL1ALDH1A1LMNAMAPTNPC1
SCHEMBL6379160 0.84 KEAP1 (0.47) L3MBTL1ALDH1A1LMNAMAPTNPC1
SCHEMBL1460357 0.84 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL17844326 0.84 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL29809671 0.80 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL4547926 0.80 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL19689735 0.78 DPP4 (0.48) L3MBTL1MEN1KMT2AALDH1A1AKR1C3
SCHEMBL5793874 0.78 MC4R (0.51) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL21202392 0.78 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1AKR1C3

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-3056487-B1 SYNTHESIS OF ENONE INTERMEDIATE HARVARD COLLEGE (US) 2018-02-21 EP disclosed
EP-3056487-A1 SYNTHESIS OF ENONE INTERMEDIATE President and Fellows of Harvard College (US) 2016-08-17 EP disclosed
EP-2487160-B1 Synthesis of Enone Intermediate HARVARD COLLEGE (US) 2016-02-03 EP disclosed
US-8907104-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-09 US disclosed
EP-2479169-B1 Synthesis of Enone Intermediate HARVARD COLLEGE (US) 2014-12-03 EP disclosed
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-8580969-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-11-12 US disclosed
US-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-22 US disclosed
EP-2076133-B1 SYNTHESIS OF ENONE INTERMEDIATE HARVARD COLLEGE (US) 2012-12-12 EP disclosed
US-8293920-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-23 US disclosed
EP-2487160-A1 Synthesis of Enone Intermediate President and Fellows of Harvard College (US) 2012-08-15 EP disclosed
EP-2479169-A1 Synthesis of Enone Intermediate President and Fellows of Harvard College (US) 2012-07-25 EP disclosed
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 US disclosed
US-7960559-B2 Synthesis of enone intermediate PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-14 US disclosed
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE MYERS ANDREW G 2011-01-13 US disclosed
US-7763735-B2 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-27 US disclosed
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-09 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 (5 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-20130217886-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 L3MBTL1 1485/4885MEN1 608/4885KMT2A 3374/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 L3MBTL1 1485/4885MEN1 608/4885KMT2A 3374/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 L3MBTL1 1728/4885MEN1 1046/4885KMT2A 3284/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 L3MBTL1 1485/4885MEN1 608/4885KMT2A 3374/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 L3MBTL1 1485/4885MEN1 608/4885KMT2A 3374/4885

“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.