SCHEMBL16979262

SCHEMBL16979262

CC(=O)Oc1ccccc1CCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.51
PDE10A Q9Y233 3/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9828397 0.85 FFAR1 (0.64) PDE10AGPBAR1FFAR1AKR1B1CYSLTR1
SCHEMBL28002107 0.84 DHFR (0.58) MEN1KMT2ASMN1; SMN2CYP1A2PDE10A
SCHEMBL11589528 0.83 PTGS2 (0.55) CYP1A2MAPK1ALDH1A1KDM4ELMNA
SCHEMBL1695565 0.82 AKT1 (0.51) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL25435433 0.80 GPBAR1 (0.56) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL9828722 0.78 ALOX5 (0.59) PDE10AGPBAR1FFAR1AKR1B1CYSLTR1
SCHEMBL16065424 0.76 PPARG (0.59) CYP1A2ALDH1A1KDM4ELMNAHPGD
SCHEMBL9026288 0.76 GPBAR1 (0.69) PDE10AGPBAR1FFAR1AKR1B1CYSLTR1
SCHEMBL10980763 0.76 CYP1A2 (0.53) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2913941 0.76 PDE10A (0.61) CYP1A2PDE10ACYSLTR1CYSLTR2

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-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 MEN1 4178/4885KMT2A 3493/4885NPC1 2305/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL MEN1 4178/4885KMT2A 3493/4885NPC1 2305/4885

“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.