SCHEMBL2084256

SCHEMBL2084256

CC(C)=CCn1c(C=O)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.52
ALDH1A1 P00352 5/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 4/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2082562 0.80 LMNA (0.57) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL11037020 0.80 TNF (0.55) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL3616241 0.80 KDM4E (0.65) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL9673595 0.79 VDR (0.55) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL2084121 0.78 LMNA (0.62) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3
SCHEMBL9866483 0.77 ALDH1A1 (0.67) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL9674712 0.76 VDR (0.58) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL4921054 0.76 KDM4E (0.57) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL28426171 0.76 LMNA (0.68) VDRALDH1A1KDM4ENPC1RAB9A
SCHEMBL8754986 0.75 ALDH1A1 (0.45) ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3

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 VDR 382/4885ALDH1A1 357/4885ALDH1A2 605/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 VDR 266/4885ALDH1A1 424/4885ALDH1A2 796/4885

“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.