SCHEMBL721338

SCHEMBL721338

CCCCOc1ccc2c(c1)CCc1cc(OCCCC)ccc1-c1c-2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 7/20 0.52
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
HRH3 Q9Y5N1 3/20 0.50
MAOA P21397 2/20 0.46
BRD4 O60885 1/20 0.44
PTPN1 P18031 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL14878532 0.94 THRA (0.51) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL12083159 0.93 THRA (0.47) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL722736 0.92 MEN1 (0.63) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL3316098 0.89 THRA (0.45) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL23158881 0.86 ITGB3 (0.55) MAOBHRH3MAOA
SCHEMBL8272631 0.86 MAOB (0.69) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL27974960 0.83 MAOB (0.66) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL1030417 0.82 MAOB (0.64) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL23158883 0.80 MAOB (0.46) MAOBTHRATHRBHRH3MAOA
SCHEMBL9222772 0.80 MAOB (0.69) MAOBHRH3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 MEN1 3501/4885NPC1 4164/4885ALDH1A1 205/4885
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI MEN1 3501/4885NPC1 4164/4885ALDH1A1 205/4885
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI MEN1 3501/4885NPC1 4164/4885ALDH1A1 205/4885
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI MEN1 3501/4885NPC1 4164/4885ALDH1A1 205/4885

“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.