SCHEMBL13613545

SCHEMBL13613545

COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.86
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
CXCL12 P48061 1/20 0.80
CXCR4 P61073 1/20 0.80
TNFRSF1A P19438 2/20 0.77
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP1B1 Q16678 1/20 0.71
PDE4A P27815 1/20 0.69
PDE4B Q07343 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
AR P10275 1/20 0.68

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
SCHEMBL19183376 1.00 ABCG2 (0.86) ABCG2MEN1KMT2ACXCL12CXCR4
SCHEMBL31574491 0.89 CXCL12 (0.76) ABCG2MEN1KMT2ACXCL12CXCR4
SCHEMBL30837249 0.89 CXCL12 (1.00) CXCL12CXCR4AR
SCHEMBL25194287 0.89 CXCL12 (1.00) CXCL12CXCR4AR
SCHEMBL12662991 0.89 CXCL12 (1.00) CXCL12CXCR4AR
SCHEMBL25197185 0.89 CXCL12 (1.00) CXCL12CXCR4AR
SCHEMBL30837223 0.89 CXCL12 (0.76) ABCG2MEN1KMT2ACXCL12CXCR4
SCHEMBL25194958 0.89 CXCL12 (0.81) ABCG2MEN1KMT2ACXCL12CXCR4
SCHEMBL25220029 0.89 CXCL12 (0.81) ABCG2MEN1KMT2ACXCL12CXCR4
SCHEMBL19782799 0.89 CXCL12 (0.81) ABCG2MEN1KMT2ACXCL12CXCR4

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-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
US-20090280483-A1 Methods for Screening Interleukin-6 (IL-6) Signal Transduction Inhibitors UNIVERSITY OF TOKYO, THE (JP) 2009-11-12 US disclosed
US-20090280483-A1 Methods for Screening Interleukin-6 (IL-6) Signal Transduction Inhibitors UNIVERSITY OF TOKYO, THE (JP) 2009-11-12 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-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 ABCG2 3643/4885MEN1 4505/4885KMT2A 4031/4885
US-20090280483-A1 Methods for Screening Interleukin-6 (IL-6) Signal Transduction Inhibitors IL6, IL6ST, CASP6 ABCG2 2431/4885MEN1 4655/4885KMT2A 4705/4885

“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.