SCHEMBL720798

SCHEMBL720798

CCCCOc1cccc(CCc2cccc(OCCCC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.58
KCNH2 Q12809 1/20 0.57
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
TSHR P16473 1/20 0.54
DHFR P00374 1/20 0.54
LTA4H P09960 1/20 0.53
GGPS1 O95749 1/20 0.52
PLA2G4B P0C869 1/20 0.52

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
SCHEMBL14382693 0.94 CYP2D6 (0.57) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL17509790 0.91 PPARA (0.68) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL9492166 0.91 PPARA (0.68) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL8053831 0.90 CYP2D6 (0.56) CYP2D6KCNH2PPARGPPARAGGPS1
SCHEMBL3025896 0.90 CYP4F2 (0.61) CYP2D6KCNH2PPARGPPARAGGPS1
SCHEMBL9621361 0.90 CYP2D6 (0.53) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL2911039 0.90 TAAR1 (0.62) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL9827395 0.90 CYP2D6 (0.53) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL3964532 0.89 TSHR (0.60) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL4568871 0.89 PPARA (0.61) CYP2D6KCNH2PPARGPPARATSHR

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-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 CYP2D6 528/4885KCNH2 3127/4885PPARG 2268/4885
US-20130164803-A9 CYCLOPROPENONES AND THE PHOTOCHEMICAL GENERATION OF CYCLIC ALKYNES THEREFROM WEE1, WEE2, MPI CYP2D6 528/4885KCNH2 3127/4885PPARG 2268/4885
US-20120053299-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI CYP2D6 528/4885KCNH2 3127/4885PPARG 2268/4885
US-20100210854-A1 Cyclopropenones and the Photochemical Generation of Cyclic Alkynes Therefrom WEE1, WEE2, MPI CYP2D6 528/4885KCNH2 3127/4885PPARG 2268/4885

“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.