SCHEMBL723458

SCHEMBL723458

C=CCOc1cccc(CCc2cccc(OCC=C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 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
SCHEMBL15839353 0.90 TAAR1 (0.57) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL27721818 0.90 BCHE (0.49) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL31267723 0.90 BCHE (0.49) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL15432648 0.90 CYP4F2 (0.61) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL22215905 0.89 KDM4E (0.51) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL2318952 0.87 KDM4E (0.50) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL9203324 0.87 CYP4F2 (0.50) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL1520719 0.86 MEN1 (0.50) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL13993806 0.85 CHRM2 (0.62) BCHEKDM4ENPC1RAB9AGAA
SCHEMBL2522114 0.85 KDM4E (0.52) BCHEKDM4ENPC1RAB9AGAA

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
US-8426649-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-23 US claimed
US-8258347-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-09-04 US claimed
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-01 US claimed
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2010-08-19 US claimed
US-8541625-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-09-24 US disclosed
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) 2013-06-27 US disclosed
US-8426649-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-04-23 US disclosed
US-20120295318-A1 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM UNIVERSITY OF GEORGE RESEARCH FOUNDATION, INC. (US) 2012-11-22 US disclosed
US-8258347-B2 Cyclopropenones and the photochemical generation of cyclic alkynes therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-09-04 US disclosed
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-03-01 US disclosed
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2010-08-19 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 (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-20120295318-A1 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI BCHE 2152/4885KDM4E 3772/4885NPC1 4164/4885
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI BCHE 2152/4885KDM4E 3772/4885NPC1 4164/4885
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI BCHE 2152/4885KDM4E 3772/4885NPC1 4164/4885
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI BCHE 2152/4885KDM4E 3772/4885NPC1 4164/4885

“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.