SCHEMBL3539290

SCHEMBL3539290

CCN1CCCC(N(C/C(C)=C/c2ccccc2)C(=O)c2cc(OC)c(OC)c(OC)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 17/20 0.59
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 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
SCHEMBL12410244 1.00 ACKR3 (0.59) ACKR3ALDH1A1HSD17B10
SCHEMBL3539292 1.00 ACKR3 (0.59) ACKR3ALDH1A1HSD17B10
SCHEMBL13349488 0.81 ACKR3 (0.55) ACKR3ALDH1A1
SCHEMBL3540796 0.78 ACKR3 (0.72) ACKR3
SCHEMBL3540794 0.78 ACKR3 (0.72) ACKR3
SCHEMBL12410263 0.78 ACKR3 (0.72) ACKR3
SCHEMBL3540792 0.78 ACKR3 (0.72) ACKR3
SCHEMBL3545859 0.78 ACKR3 (0.84) ACKR3
SCHEMBL3545857 0.78 ACKR3 (0.84) ACKR3
SCHEMBL12410254 0.77 ACKR3 (0.75) ACKR3

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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
EP-1606251-B1 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX INC (US) 2009-04-08 EP disclosed
EP-1606251-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR ChemoCentryx Inc (US) 2005-12-21 EP disclosed
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CHEMOCENTRYX, INC. 2004-09-02 US disclosed
WO-2004058705-A2 INHIBITORS OF THE BINDING OF CHEMOKINES I-TAC OR SDF-1 TO THE CCXCKR2 RECEPTOR CHEMOCENTRYX (US) 2004-07-15 WO 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-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885ALDH1A1 910/4885HSD17B10 2715/4885
US-20040171655-A1 Inhibitors of human tumor-expressed CCXCKR2 CCL2, CCR2, CXCR2 ACKR3 12/4885ALDH1A1 910/4885HSD17B10 2715/4885

“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.