SCHEMBL515536

SCHEMBL515536

CC(N)C(ON1CCOCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA5 P22460 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 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
SCHEMBL515589 0.85 CYP2D6 (0.40) CYP3A4CYP2C19ALDH1A1LMNAKCNA5
Cadaverine Tartrate SCHEMBL16685626 0.76 LMNA (0.44) CYP3A4TSHRALDH1A1LMNAMEN1
SCHEMBL14773209 0.73 CYP3A4 (0.61) CYP3A4TSHRCYP2C19ALDH1A1LMNA
SCHEMBL16685702 0.70 TP53 (0.51) TSHRCYP2C19ALDH1A1LMNAMEN1
SCHEMBL19881633 0.70 ALDH1A1 (0.47) CYP3A4TSHRCYP2C19ALDH1A1LMNA
SCHEMBL469061 0.69 MEN1 (0.51) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL16271009 0.69 ALDH1A1 (0.46) CYP3A4TSHRCYP2C19ALDH1A1LMNA
SCHEMBL16685629 0.68 LMNA (0.39) CYP3A4TSHRALDH1A1LMNAMEN1
SCHEMBL12262583 0.68 THRB (0.53) CYP3A4TSHRALDH1A1LMNAADRA2A
SCHEMBL9870121 0.68 ADRA2A (0.50) ALDH1A1LMNAADRA2AADRA2CHIF1A

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 19 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
EP-2076133-A2 SYNTHESIS OF ENONE INTERMEDIATE The President and Fellows of Harvard College (US) 2009-07-08 EP 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
WO-2008127361-A2 SYNTHESIS OF ENONE INTERMEDIATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-23 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 (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 CYP3A4 359/4885TSHR 1429/4885CYP2C19 365/4885
US-20110009639-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 CYP3A4 359/4885TSHR 1429/4885CYP2C19 365/4885
US-20090093640-A1 modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency TECR, TSN, TARS2 CYP3A4 552/4885TSHR 1065/4885CYP2C19 553/4885
US-20140179929-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 CYP3A4 359/4885TSHR 1429/4885CYP2C19 365/4885
US-20120029199-A1 SYNTHESIS OF ENONE INTERMEDIATE TECR, ECI1, ERAL1 CYP3A4 359/4885TSHR 1429/4885CYP2C19 365/4885

“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.