SCHEMBL1332811

SCHEMBL1332811

[O]C1CCc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.53
CES1 P23141 1/20 0.50
ACHE P22303 2/20 0.47
SIGMAR1 Q99720 4/20 0.46
DRD2 P14416 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2A6 P11509 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTR1A P08908 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29604926 0.82 CYP19A1 (0.51) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL3346153 0.82 CYP19A1 (0.51) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL13039620 0.81 DRD2 (0.56) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL5539639 0.80 ACHE (0.63) CYP19A1CES1ACHEKDM4EMAPT
SCHEMBL385513 0.79 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL11819054 0.79 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL30707960 0.79 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL1094690 0.79 CYP19A1 (0.53) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL25001243 0.78 ACHE (0.66) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL10000875 0.78 ACHE (0.66) CYP19A1CES1ACHESIGMAR1DRD2

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 8 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
US-8604031-B2 Intracellular kinase inhibitors MANNKIND CORPORATION (US) 2013-12-10 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
EP-2027087-A2 INTRACELLULAR KINASE INHIBITORS MannKind Corporation (US) 2009-02-25 EP 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 CYP19A1 4710/4885CES1 3521/4885ACHE 4878/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP19A1 4710/4885CES1 3521/4885ACHE 4878/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP19A1 4710/4885CES1 3521/4885ACHE 4878/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK CYP19A1 4710/4885CES1 3521/4885ACHE 4878/4885

“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.