SCHEMBL12123768

SCHEMBL12123768

COc1cc(OC)cc(C(=O)CCN2CCOCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TP53 P04637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 7/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.56
THRB P10828 2/20 0.56
MPI P34949 1/20 0.55
ALDH3A1 P30838 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
THRA P10827 1/20 0.54

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
SCHEMBL12123777 0.87 CYP2C9 (0.69) ALDH1A1TP53POLBKMT2AMAPT
SCHEMBL12123805 0.86 KMT2A (0.73) ALDH1A1POLBKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7932177 0.85 CYP2C9 (0.67) ALDH1A1POLBKMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL7932179 0.84 KMT2A (0.75) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL12123775 0.80 CYP2D6 (0.65) ALDH1A1TP53KMT2AMEN1MAPT
SCHEMBL15720776 0.79 ALDH1A1 (0.60) ALDH1A1TP53KDM4EPOLBALOX15
SCHEMBL9512833 0.78 ALDH1A1 (0.84) ALDH1A1TP53KMT2AMEN1MAPT
SCHEMBL14385068 0.78 ALDH1A1 (0.63) ALDH1A1TP53KMT2AMEN1MAPT
SCHEMBL15720845 0.78 ALDH1A1 (0.59) ALDH1A1TP53KDM4EPOLBALOX15
SCHEMBL14346137 0.78 LMNA (0.69) ALDH1A1KDM4EPOLBKMT2AMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885TP53 605/4885KDM4E 1706/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885TP53 605/4885KDM4E 1706/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885TP53 605/4885KDM4E 1706/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885TP53 605/4885KDM4E 1706/4885

“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.