SCHEMBL12123777

SCHEMBL12123777

COc1cccc(C(=O)CCN2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
DRD4 P21917 5/20 0.59
DRD2 P14416 2/20 0.59
CTNNB1 P35222 1/20 0.57
WNT3A P56704 1/20 0.57
TP53 P04637 1/20 0.56
ALDH3A1 P30838 1/20 0.56
HTT P42858 1/20 0.56
HTR1A P08908 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 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
Hydrochloric Acid SCHEMBL7932177 0.99 CYP2C9 (0.67) CYP2C9CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL12123768 0.87 ALDH1A1 (0.62) CYP2C9CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL12123793 0.86 ALDH1A1 (0.71) ALDH1A1MAPTKMT2AL3MBTL1TP53
SCHEMBL12125872 0.84 ALDH1A1 (0.60) CYP2C9CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL12123805 0.84 KMT2A (0.73) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL12123780 0.83 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AL3MBTL1CTNNB1
Hydrochloric Acid SCHEMBL7932179 0.83 KMT2A (0.75) ALDH1A1MAPTKMT2APOLBHTT
Hydrochloric Acid SCHEMBL7934870 0.82 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AL3MBTL1CTNNB1
SCHEMBL9323567 0.81 SIGMAR1 (0.64) ALDH1A1MAPTKMT2ADRD4DRD2
SCHEMBL30098940 0.81 CYP2C19 (1.00) CYP2C9CYP2C19ALDH1A1MAPTPOLB

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 CYP2C9 4866/4885CYP2C19 4828/4885ALDH1A1 4370/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2C9 4866/4885CYP2C19 4828/4885ALDH1A1 4370/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2C9 4866/4885CYP2C19 4828/4885ALDH1A1 4370/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP2C9 4866/4885CYP2C19 4828/4885ALDH1A1 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.