SCHEMBL2084121

SCHEMBL2084121

CC(C)=CCn1c(CO)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.55
ALDH1A2 O94788 1/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
ALDH1A3 P47895 1/20 0.55
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TNF P01375 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.50
TP53 P04637 3/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.47

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
SCHEMBL9730370 0.89 LMNA (0.54) LMNAPOLBALDH1A1ALDH1A2ALDH2
SCHEMBL1520132 0.81 PKM (0.67) LMNAPOLBALDH1A1KMT2AKDM4E
SCHEMBL11037020 0.81 TNF (0.55) LMNAALDH1A1ALDH1A2ALDH2ALDH3A1
SCHEMBL5861856 0.80 ALDH1A1 (0.53) LMNAALDH1A1ALDH1A2ALDH2ALDH3A1
SCHEMBL2017366 0.79 POLB (0.64) LMNAPOLBALDH1A1KMT2AKDM4E
SCHEMBL2084256 0.78 VDR (0.52) LMNAPOLBALDH1A1ALDH1A2ALDH2
SCHEMBL1520867 0.77 L3MBTL1 (0.67) LMNAPOLBALDH1A1KMT2AKDM4E
SCHEMBL9675651 0.76 POLB (0.60) LMNAPOLBALDH1A1KMT2AKDM4E
SCHEMBL1520364 0.76 POLB (0.69) LMNAPOLBALDH1A1KMT2AKDM4E
SCHEMBL1520195 0.76 POLB (0.73) LMNAPOLBALDH1A1KMT2AKDM4E

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
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 LMNA 4525/4885POLB 3913/4885ALDH1A1 357/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 LMNA 4691/4885POLB 4206/4885ALDH1A1 424/4885

“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.