SCHEMBL16979271

SCHEMBL16979271

CC(=O)Oc1cccc(C#Cc2ccc3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
GRM5 P41594 3/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL15611000 0.79 CYP3A4 (0.56) LMNACYP3A4MAPT
SCHEMBL12884290 0.76 TTR (0.62) TTRCYSLTR2CYSLTR1GRM5KCNH2
SCHEMBL2808776 0.76 TTR (0.62) TTRCYSLTR2CYSLTR1GRM5KCNH2
SCHEMBL15548787 0.75 TTR (0.46) TTRGRM5KCNH2LMNAALDH1A1
SCHEMBL5778843 0.73 GRM5 (0.62) TTRGRM5KCNH2LMNACYP3A4
SCHEMBL2808633 0.73 TTR (0.55) TTRGRM5KCNH2CYP3A4ALDH1A1
SCHEMBL18130063 0.73 CYP3A4 (0.60) LMNACYP3A4
SCHEMBL4713149 0.73 TTR (0.55) TTRGRM5KCNH2
SCHEMBL2807844 0.73 TTR (0.55) TTRCYSLTR2CYSLTR1GRM5KCNH2
SCHEMBL13721436 0.73 LMNA (0.51) LMNACYP3A4ALDH1A1MAPT

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-3147280-B1 ANTI-ANGIOGENIC COMPOUND UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2018-03-07 EP disclosed
US-9815788-B2 Anti-angiogenic compounds THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2017-11-14 US disclosed
US-9815788-B2 Anti-angiogenic compounds THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2017-11-14 US disclosed
EP-3147280-A1 ANTI-ANGIOGENIC COMPOUND University College Dublin, National University of Ireland, Dublin (IE) 2017-03-29 EP disclosed
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-02-23 US disclosed
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-02-23 US disclosed
EP-2877454-B1 ANTI-ANGIOGENIC 2-STYRYL-QUINOLINE COMPOUNDS UNIV DUBLIN (IE) 2016-11-02 EP disclosed
US-9388138-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-9388138-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-08-06 US disclosed
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-08-06 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 (2 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-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL TTR 1646/4885CYSLTR2 1059/4885CYSLTR1 1915/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL TTR 1646/4885CYSLTR2 1059/4885CYSLTR1 1915/4885

“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.