SCHEMBL12123767

SCHEMBL12123767

CN(CCC(=O)c1ccc2ccccc2c1)Cc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
ACHE P22303 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PTPN1 P18031 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL12123752 0.81 ACHE (0.67) THRATHRBHPGDRAB9ANPC1
SCHEMBL22624889 0.79 SMN1; SMN2 (0.61) THRAHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL13562522 0.78 SMN1; SMN2 (0.59) THRATHRBHPGDRAB9ANPC1
SCHEMBL5463532 0.77 SMN1; SMN2 (0.66) THRATHRBHPGDRAB9ANPC1
SCHEMBL12123747 0.77 ACHE (0.57) HPGDRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15601805 0.77 ACHE (0.57) THRATHRBHPGDRAB9ANPC1
SCHEMBL11050213 0.76 THRA (0.55) THRATHRBHPGDMAPTTSHR
SCHEMBL12992318 0.76 THRA (0.55) THRATHRBMAPTTP53TSHR
Hydrochloric Acid SCHEMBL4922813 0.76 SMN1; SMN2 (0.64) THRATHRBHPGDRAB9ANPC1
SCHEMBL22624965 0.76 SMN1; SMN2 (0.57) THRATHRBHPGDRAB9ANPC1

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 THRA 1590/4885THRB 915/4885HPGD 4547/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885HPGD 4547/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885HPGD 4547/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK THRA 1590/4885THRB 915/4885HPGD 4547/4885

“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.