SCHEMBL12123775

SCHEMBL12123775

COc1ccc(C(=O)CCN2CCOCC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 8/20 0.61
MAPT P10636 7/20 0.61
HTT P42858 2/20 0.61
TP53 P04637 1/20 0.61
ALDH3A1 P30838 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 6/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 2/20 0.58
MPI P34949 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
THRB P10828 1/20 0.56
PDE4D Q08499 1/20 0.55

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
SCHEMBL12123622 0.86 ALDH1A1 (0.67) CYP2D6CYP2C9ALDH1A1MAPTHTT
SCHEMBL12123773 0.85 KMT2A (0.63) ALDH1A1MAPTHTTTP53ALDH3A1
SCHEMBL10541216 0.83 KMT2A (0.69) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL12123805 0.82 KMT2A (0.73) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL9512833 0.81 ALDH1A1 (0.84) ALDH1A1MAPTHTTTP53ALDH3A1
Hydrochloric Acid SCHEMBL7932179 0.81 KMT2A (0.75) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL12123777 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTHTTTP53
SCHEMBL12123947 0.80 SIGMAR1 (0.53) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4267324 0.80 CYP2D6 (0.60) CYP2D6CYP2C9ALDH1A1LMNASMN1; SMN2
SCHEMBL12123768 0.80 ALDH1A1 (0.62) CYP2C9ALDH1A1MAPTHTTTP53

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 10 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
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP 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 CYP2D6 4867/4885CYP2C9 4866/4885ALDH1A1 4370/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2D6 4867/4885CYP2C9 4866/4885ALDH1A1 4370/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2D6 4867/4885CYP2C9 4866/4885ALDH1A1 4370/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2D6 4867/4885CYP2C9 4866/4885ALDH1A1 4370/4885

“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.