SCHEMBL6511442

SCHEMBL6511442

CC(C)(C)OC(=O)C(N)(CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ TGM2 P21980 1/20 0.50
▸ KEAP1 Q14145 3/20 0.48
▸ NFE2L2 Q16236 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ DPP9 Q86TI2 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ ABCB1 P08183 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ FOLH1 Q04609 2/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 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
SCHEMBL12076369 1.00 MAPT (0.52) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL29931085 0.95 HTT (0.54) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL3898159 0.91 MAPT (0.50) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL28745362 0.87 KLK7 (0.43) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL28745361 0.87 KLK7 (0.43) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL8574384 0.87 MAPT (0.47) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL8574390 0.87 MAPT (0.47) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL31300270 0.86 MAPT (0.52) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL29396217 0.86 HTT (0.56) MAPTHTTTGM2KEAP1NFE2L2
SCHEMBL13480435 0.83 MAPT (0.65) MAPTHTTTGM2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 — — US disclosed
US-11608340-B2 Nanomaterial compositions, synthesis, and assembly RHODE ISLAND HOSPITAL (US) 2023-03-21 — — US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 — — EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 — — EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 — — US disclosed
EP-3220914-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2017-09-27 — — EP disclosed
WO-2016081522-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2016-05-26 — — WO disclosed
US-20050131230-A1 Method and associated compounds for forming nanotubes NATIONAL SCIENCE FOUNDATION 2005-06-16 — — US disclosed
US-6696565-B2 SELF-ASSEMBLING; PHYSICAL PROPERTIES; THERMOCONDUCTIVITY PURDUE RESEARCH FOUNDATION 2004-02-24 — — US disclosed
US-20020151556-A1 Method and associated compounds for forming nanotubes PURDUE RESEARCH FOUNDATION 2002-10-17 — — US disclosed
WO-2002066482-A1 METHOD AND ASSOCIATED COMPOUNDS FOR FORMING NANOTUBES PURDUE RESEARCH FOUNDATION (US) 2002-08-29 — — 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 (5 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-20050131230-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B MAPT 103/4885HTT 437/4885TGM2 1350/4885
US-11608340-B2 Nanomaterial compositions, synthesis, and assembly POLRMT, NT5C3B, CHMP4B MAPT 997/4885HTT 1228/4885TGM2 1303/4885
US-20020151556-A1 Method and associated compounds for forming nanotubes TUBB6, TUBB4A, TUBB4B MAPT 103/4885HTT 437/4885TGM2 1350/4885
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B MAPT 997/4885HTT 1228/4885TGM2 1303/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B MAPT 997/4885HTT 1228/4885TGM2 1303/4885

“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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