SCHEMBL14027239

SCHEMBL14027239

CCCc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc(Cl)cc3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
ALDH1A1 P00352 10/20 0.63
HPGD P15428 8/20 0.63
KMT2A Q03164 7/20 0.63
PKM P14618 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HSP90AA1 P07900 1/20 0.59
MAPT P10636 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HSD17B10 Q99714 4/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 4/20 0.53

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
SCHEMBL14028419 0.90 ALDH1A1 (0.62) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL13779255 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL16254262 0.74 CA12 (0.66) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL13638427 0.74 ALDH1A1 (0.60) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL11946745 0.73 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL12642792 0.72 KDM4E (0.66) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL7907510 0.72 ALDH1A1 (0.66) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL15984893 0.72 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL20364004 0.72 ALDH1A1 (0.77) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL8834871 0.71 KDM4E (0.59) KDM4EALDH1A1HPGDKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 KDM4E 2737/4885ALDH1A1 4299/4885HPGD 4600/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 KDM4E 4569/4885ALDH1A1 3838/4885HPGD 2848/4885

“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.