SCHEMBL12754797

SCHEMBL12754797

CC(C)CN(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)O)CC(C)C)Cc1ccc2c(c1)OCO2)C(C)c1ccccc1)C(=O)CNCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.50
VIM P08670 1/20 0.49
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
MC5R P33032 1/20 0.41
GAA P10253 3/20 0.41
MC1R Q01726 1/20 0.39
ALDH1A1 P00352 7/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
ACE P12821 1/20 0.37
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
BMP1 P13497 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL13671131 0.95 CREBBP (0.51) CREBBPVIMMC4RMC3RMC5R
SCHEMBL17424484 0.94 CREBBP (0.49) CREBBPVIMMC4RMC3RMC5R
SCHEMBL21565404 0.87 CREBBP (0.50) CREBBPVIMMC4RMC3RMC5R
SCHEMBL17424488 0.82 CREBBP (0.47) CREBBPVIMMC4RMC3RGAA
SCHEMBL17366443 0.82 CREBBP (0.43) CREBBPVIMMC4RMC3RMC5R
SCHEMBL17366444 0.81 CREBBP (0.43) CREBBPVIMMC4RMC3RMC5R
SCHEMBL17424480 0.80 CREBBP (0.40) CREBBPVIMMC4RMC3RGAA
SCHEMBL21376771 0.79 MC4R (0.54) CREBBPMC4RMC3RMC5RMC1R
SCHEMBL21376908 0.79 MC4R (0.54) CREBBPMC4RMC3RMC5RMC1R
SCHEMBL21376568 0.79 MC4R (0.54) CREBBPMC4RMC3RMC5RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233162-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-12 US disclosed
US-9233162-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-12 US disclosed
US-8334239-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-8334239-B2 High affinity VEGF-receptor antagonists THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-18 US disclosed
US-20110077201-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS KODADEK THOMAS 2011-03-31 US disclosed
US-20110077201-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS KODADEK THOMAS 2011-03-31 US disclosed
US-20090246124-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090246124-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 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-20090246124-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS KDR, FLT4, FLT1 CREBBP 4234/4885VIM 1222/4885MC4R 526/4885
US-20110077201-A1 HIGH AFFINITY VEGF-RECEPTOR ANTAGONISTS KDR, FLT4, FLT1 CREBBP 4234/4885VIM 1222/4885MC4R 526/4885

“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.