SCHEMBL291623

SCHEMBL291623

CCCCC(CC)C(=O)NCCCn1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
GAA P10253 2/20 0.56
QPCT Q16769 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL13609136 0.91 GAA (0.61) GAAQPCTMEN1KMT2ASMN1; SMN2
SCHEMBL31283170 0.83 TLR2 (0.56) GAAQPCTMEN1KMT2ASMN1; SMN2
SCHEMBL13609286 0.83 GAA (0.52) USP2GAAQPCTMEN1KMT2A
SCHEMBL18568234 0.80 QPCT (0.65) GAAQPCTMEN1KMT2ASMN1; SMN2
SCHEMBL13416049 0.80 QPCT (0.62) QPCTMEN1KMT2ASMN1; SMN2NPC1
2-Ethylhexanoic Acid SCHEMBL28899034 0.80 TBXAS1 (0.67) MAPK1
2-Ethylhexanoic Acid SCHEMBL28899014 0.80 TBXAS1 (0.67) MAPK1
SCHEMBL11287686 0.79 TBXAS1 (0.66)
SCHEMBL11287681 0.79 TBXAS1 (0.66)
Hydrochloric Acid SCHEMBL11283441 0.78 TBXAS1 (0.67)

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-4532268-A Imidazole agent for retarding the polymerization of aziridine compounds ESPE, FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1985-07-30 US claimed
EP-4346741-A1 DENTAL COMPOSITION COMPRISING AN ISORBIDE COMPONENT Solventum Intellectual Properties Company (US) 2024-04-10 EP disclosed
EP-3883522-A1 CURABLE COMPOSITION CONTAINING A POLYETHER-MODIFIED POLYDIMETHYL SILOXANE 3M Innovative Properties Company (US) 2021-09-29 EP disclosed
EP-2613754-B1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2018-10-17 EP disclosed
US-9216141-B2 Curable composition, process of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-22 US disclosed
EP-2613754-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2013-07-17 EP disclosed
US-20130157226-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-20 US disclosed
WO-2012033633-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-15 WO disclosed
EP-2428199-A1 Curable composition, process of production and use thereof 3M Innovative Properties Company (US) 2012-03-14 EP disclosed
EP-0110429-B1 RETARDERS FOR THE POLYMERISATION OF AZIRIDINE COMPOUNDS ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1990-01-17 EP disclosed
US-4532268-A Imidazole agent for retarding the polymerization of aziridine compounds ESPE, FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1985-07-30 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-20130157226-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF LDHA, LDHB, SOD1 USP2 2793/4885GAA 39/4885QPCT 4237/4885

“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.