SCHEMBL14385089

SCHEMBL14385089

O=C(CCN1CCOCC1)c1ccc2cc[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.77
▸ MAPT P10636 9/20 0.77
▸ HSD17B10 Q99714 3/20 0.77
▸ TP53 P04637 2/20 0.60
▸ ALDH3A1 P30838 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 2/20 0.56
▸ MPI P34949 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ THRB P10828 2/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ THRA P10827 1/20 0.50
▸ HPGD P15428 1/20 0.49

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
SCHEMBL3536679 0.81 CYP2C19 (0.69) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL9512833 0.80 ALDH1A1 (0.84) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL12123865 0.80 ALDH1A1 (0.65) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL12123765 0.80 ALDH1A1 (0.69) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL14385057 0.79 CTNNB1 (0.58) ALDH1A1MAPTHSD17B10TP53ALDH3A1
SCHEMBL12123862 0.79 ALDH1A1 (0.62) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL12123867 0.79 ALDH1A1 (0.62) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL14385180 0.79 ALDH1A1 (0.62) ALDH1A1MAPTTP53ALDH3A1HTT
SCHEMBL14006091 0.79 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL14385080 0.77 ALDH1A1 (0.60) ALDH1A1MAPTTP53ALDH3A1HTT

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-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
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 (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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885HSD17B10 4425/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885HSD17B10 4425/4885

“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.

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