SCHEMBL961109

SCHEMBL961109

CCNC(=O)OCCOCC#CI

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACHE P22303 12/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 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
SCHEMBL7159943 0.84 ACHE (0.65) ACHE
SCHEMBL7573517 0.84 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL7152429 0.83 CHRNB2 (0.43) CHRNB2CHRNA4ACHEALDH1A1SMN1; SMN2
SCHEMBL16674069 0.78 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL5174474 0.76 ALDH1A1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL15082337 0.74 ALDH1A1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL16298774 0.74 ACHE (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL16298775 0.74 ACHE (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL21878513 0.73 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL5247780 0.73 ACHE (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4176721-B1 BIOCIDAL POLYMER BLENDS LANXESS DEUTSCHLAND GMBH (DE) 2026-01-07 EP claimed
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US claimed
EP-2413697-B1 STABILISATION OF COMPOUNDS CONTAINING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-08 EP claimed
US-20170215421-A1 BIOCIDE AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2017-08-03 US claimed
EP-2779830-B1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US claimed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US claimed
US-9296878-B2 Fungicide formulations for plasticized PVC LANXESS DEUTSCHLAND GMBH (DE) 2016-03-29 US claimed
EP-2831161-B1 FUNGICIDE FORMULATIONS FOR PLASTICIZED PVC LANXESS DEUTSCHLAND GMBH (DE) 2015-11-18 EP claimed
US-8921451-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2014-12-30 US claimed
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2014-10-09 US claimed
EP-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds LANXESS DEUTSCHLAND GMBH (DE) 2012-12-06 US claimed
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2012-08-16 US claimed
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-26 US claimed
US-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2012-07-12 US claimed
US-7943644-B2 Stabilization of iodine-containing biocides by means of special azole compounds LANXESS DEUTSCHLAND GMBH (DE) 2011-05-17 US claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
US-4474807-A 2-(3-Iodo-2-propynyloxy)-ethyl carbamates, the preparation thereof, and their use as antimicrobial agents HENKEL KOMMANDIGESELLSCHAFT AUF AKTIEN (DE) 1984-10-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120178804-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 CHRNB2 3083/4885CHRNB4 2828/4885CHRNA3 3720/4885
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO CHRNB2 4451/4885CHRNB4 4461/4885CHRNA3 4713/4885
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION Q6ZSR9, PAM, ACMSD CHRNB2 4843/4885CHRNB4 4862/4885CHRNA3 4799/4885
US-20120186487-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS SLCO4C1, SLCO1B3, ABCC3 CHRNB2 2335/4885CHRNB4 1846/4885CHRNA3 1079/4885
US-20120309897-A1 Polymers containing heterocyclic 3-ring compounds and iodine-containing compounds TPO, BRD4, SSTR3 CHRNB2 4586/4885CHRNB4 4445/4885CHRNA3 3524/4885
US-20120208918-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CHRNB2 4543/4885CHRNB4 4664/4885CHRNA3 4812/4885

“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.