SCHEMBL13316258

SCHEMBL13316258

COc1cc(C(=O)N(CCN2CCOCC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 19/20 0.90
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3538643 0.95 ACKR3 (1.00) ACKR3MEN1KMT2A
SCHEMBL12410207 0.95 ACKR3 (1.00) ACKR3MEN1KMT2A
SCHEMBL12410228 0.92 ACKR3 (0.76) ACKR3
SCHEMBL3537236 0.91 ACKR3 (0.75) ACKR3
SCHEMBL3537233 0.91 ACKR3 (0.75) ACKR3
SCHEMBL3545220 0.89 ACKR3 (0.72) ACKR3
SCHEMBL12410224 0.89 ACKR3 (0.72) ACKR3
SCHEMBL13316270 0.86 ACKR3 (0.67) ACKR3MEN1KMT2A
SCHEMBL3536235 0.86 ACKR3 (0.85) ACKR3
SCHEMBL12410221 0.86 ACKR3 (0.85) 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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 12/4885MEN1 4060/4885KMT2A 3167/4885

“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.