SCHEMBL16489779

SCHEMBL16489779

C/N=C1\CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.60
HPGD P15428 1/20 0.60
G6PC1 P35575 1/20 0.51
ALDH1A1 P00352 7/20 0.51
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
GAA P10253 3/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL16489784 1.00 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL12911265 1.00 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL18810756 0.87 L3MBTL1 (0.48) L3MBTL1HPGDALDH1A1MAPTMEN1
SCHEMBL8977081 0.87 L3MBTL1 (0.48) L3MBTL1HPGDALDH1A1MAPTMEN1
SCHEMBL10805608 0.83 L3MBTL1 (0.64) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL1327059 0.79 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL1204352 0.79 L3MBTL1 (0.92) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL2068814 0.79 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL395524 0.79 L3MBTL1 (0.92) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6
SCHEMBL12786315 0.79 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
US-7902110-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-07-01 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 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 (6 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-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 L3MBTL1 2627/4885HPGD 138/4885G6PC1 3324/4885
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 L3MBTL1 1181/4885HPGD 1331/4885G6PC1 1926/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 L3MBTL1 1229/4885HPGD 1319/4885G6PC1 1908/4885
US-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH L3MBTL1 4818/4885HPGD 548/4885G6PC1 1652/4885
US-20100168440-A1 Homogeneous Asymmetric Hydrogenation Process HDHD5, HHAT, HVCN1 L3MBTL1 2923/4885HPGD 167/4885G6PC1 3471/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT L3MBTL1 4555/4885HPGD 1798/4885G6PC1 4366/4885

“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.