SCHEMBL13998013

SCHEMBL13998013

O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(O)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14081569 0.84 TSHR (0.51) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL19901389 0.82 TSHR (0.78) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL13416441 0.81 GAA (0.44) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL3196336 0.81 MEN1 (0.63) TSHRALDH1A1MAPTUSP2SMN1; SMN2
SCHEMBL29625376 0.81 MEN1 (0.63) TSHRALDH1A1MAPTUSP2SMN1; SMN2
SCHEMBL10014710 0.80 USP2 (0.76) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL3199627 0.79 SMN1; SMN2 (0.58) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL5922720 0.79 SMN1; SMN2 (0.58) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL12599337 0.79 USP2 (0.65) TSHRCYP3A4CYP2C19NPSR1ALDH1A1
SCHEMBL13416447 0.78 GAA (0.41) TSHRCYP3A4CYP2C19NPSR1ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180009949-A1 DINADIC PHENYL AMINE REACTIVE ENDCAPS THE BOEING COMPANY 2018-01-11 US disclosed
US-9670325-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2017-06-06 US disclosed
US-9670325-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2017-06-06 US disclosed
US-9505864-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-11-29 US disclosed
US-9505864-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-11-29 US disclosed
US-20160208053-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-07-21 US disclosed
US-20160208053-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-07-21 US disclosed
US-9315633-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-04-19 US disclosed
US-9315633-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-04-19 US disclosed
US-20160060377-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed
US-20160060400-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed
US-20160060377-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed
US-20160060400-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-03-03 US disclosed
US-20080300374-A1 DINADIC PHENYL AMINE REACTIVE ENDCAPS THE BOEING COMPANY 2008-12-04 US disclosed
US-20080300374-A1 DINADIC PHENYL AMINE REACTIVE ENDCAPS THE BOEING COMPANY 2008-12-04 US 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 (1 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-20180009949-A1 DINADIC PHENYL AMINE REACTIVE ENDCAPS PARN, AADAC, PARG TSHR 4243/4885CYP3A4 3104/4885CYP2C19 2009/4885

“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.