SCHEMBL13219952

SCHEMBL13219952

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.69
TNFRSF1A P19438 1/20 0.51
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.46
AKR1C2 P52895 1/20 0.46
ABCB1 P08183 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TUBB1 Q9H4B7 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 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
SCHEMBL13890982 0.86 ACKR3 (0.77) ACKR3TNFRSF1AALDH1A1AKR1C2
SCHEMBL3614587 0.83 ACKR3 (0.83) ACKR3TNFRSF1A
SCHEMBL3614590 0.83 ACKR3 (0.83) ACKR3TNFRSF1A
SCHEMBL3539267 0.82 ACKR3 (1.00) ACKR3TNFRSF1AALDH1A1KDM4E
SCHEMBL3539270 0.82 ACKR3 (1.00) ACKR3TNFRSF1AALDH1A1KDM4E
SCHEMBL14601254 0.81 ACKR3 (0.48) ACKR3TNFRSF1AMAPK1L3MBTL1ALDH1A1
SCHEMBL12410228 0.78 ACKR3 (0.76) ACKR3
SCHEMBL3537999 0.77 ACKR3 (0.64) ACKR3TNFRSF1APOLB
SCHEMBL3537997 0.77 ACKR3 (0.64) ACKR3TNFRSF1APOLB
SCHEMBL3537236 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777009-B2 Compositions for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-17 US disclosed
US-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. 2009-02-26 US disclosed
US-7253007-B2 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CHEMOCENTRYX, INC. (US) 2007-08-07 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-20090054630-A1 Compositions and methods for detecting and treating diseases and conditions related to chemokine receptors CXCR3, CCR2, CCL2 ACKR3 7/4885TNFRSF1A 421/4885MAPK1 3844/4885

“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.