SCHEMBL12123784

SCHEMBL12123784

O=C(CCN1CCOCC1)c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
KDM4E B2RXH2 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
CNR1 P21554 6/20 0.61
KMT2A Q03164 2/20 0.61
CNR2 P34972 4/20 0.59

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
SCHEMBL10851708 0.86 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
Romifenone SCHEMBL2109098 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKMT2A
SCHEMBL11588765 0.80 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2CNR1
SCHEMBL501899 0.80 CNR1 (0.65) ALDH1A1MAPTKDM4ESMN1; SMN2CNR1
SCHEMBL5795351 0.80 KMT2A (0.63) ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL31518356 0.80 KMT2A (0.63) ALDH1A1KDM4ESMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7932167 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL12123807 0.80 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL12123783 0.80 ALDH1A1 (0.64) ALDH1A1MAPTKMT2A
SCHEMBL12123820 0.80 KMT2A (0.64) ALDH1A1MAPTKDM4EKMT2A

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 ALDH1A1 4370/4885MAPT 3284/4885KDM4E 1706/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KDM4E 1706/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KDM4E 1706/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KDM4E 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.