SCHEMBL1022340

SCHEMBL1022340

Cc1cccc(C)c1OC(=O)NCC1(C)CC(NC(=O)Oc2c(C)cccc2C)CC(C)(C)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EZH2 Q15910 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2934221 0.94 TSHR (0.56) TSHRNPSR1TDP1EZH2L3MBTL1
SCHEMBL24352530 0.91 TSHR (0.51) TSHRNPSR1TDP1EZH2L3MBTL1
SCHEMBL1021679 0.89 TSHR (0.60) TSHRTDP1EZH2HTT
SCHEMBL1953902 0.88 TSHR (0.57) TSHRTDP1EZH2THRBGAA
SCHEMBL30409767 0.88 TSHR (0.57) TSHRTDP1EZH2THRBGAA
SCHEMBL1022247 0.88 TSHR (0.59) TSHRNPSR1TDP1L3MBTL1GAA
SCHEMBL982145 0.88 TSHR (0.59) TSHRTDP1EZH2
SCHEMBL29914212 0.88 TSHR (0.59) TSHRTDP1EZH2
SCHEMBL1838093 0.86 TSHR (0.57) TSHRTDP1
SCHEMBL1023779 0.85 TSHR (0.56) TSHRTDP1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753353-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-12 US disclosed
US-11746069-B2 PBX composition BAE SYSTEMS PLC (GB) 2023-09-05 US disclosed
EP-3319928-B1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2022-04-20 EP disclosed
US-11186528-B2 PBX composition BAE SYSTEMS PLC (GB) 2021-11-30 US disclosed
US-20210317051-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2021-10-14 US disclosed
US-20210300838-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2021-09-30 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
US-20180215678-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2018-08-02 US disclosed
WO-2017006109-A1 PBX COMPOSITION BAE SYSTEMS PLC (GB) 2017-01-12 WO disclosed
EP-3115349-A1 PBX COMPOSITION BAE Systems PLC (GB) 2017-01-11 EP disclosed
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 TSHR 4661/4885NPSR1 4777/4885TDP1 776/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 TSHR 4661/4885NPSR1 4777/4885TDP1 776/4885

“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.