SCHEMBL329222

SCHEMBL329222

CCCC[n+]1cn(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NPC1 O15118 6/20 0.32
HTT P42858 6/20 0.32
KDM4E B2RXH2 5/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 4/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RCE1 Q9Y256 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
RAD52 P43351 2/20 0.32
RGS12 O14924 1/20 0.32
USP2 O75604 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
SCHEMBL413172 0.92 CA1 (0.44) CA1CA2NPC1HTTKDM4E
SCHEMBL486848 0.88
Hydrochloric Acid SCHEMBL30980141 0.79 KMT2A (0.33) CA1CA2NPC1HTTRAB9A
SCHEMBL412839 0.79
SCHEMBL532146 0.76 CA1 (0.30) CA1CA2
SCHEMBL413468 0.68 CA1 (0.36) CA1CA2HTTPTPN1
Hydrochloric Acid SCHEMBL30980118 0.65 POLB (0.34) NPC1HTTKDM4ERAB9ASMN1; SMN2
SCHEMBL329375 0.65 CA1 (0.33) CA1CA2NPC1HTTRAB9A
SCHEMBL28239043 0.65 CA1 (0.51) CA1CA2NPC1HTTKDM4E
SCHEMBL294424 0.65 CA1 (0.51) CA1CA2NPC1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207013-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS Honeywell International Inc. (US) 2017-08-23 EP claimed
EP-3057928-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID Honeywell International Inc. (US) 2016-08-24 EP claimed
WO-2016061294-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS HONEYWELL INTERNATIONAL INC. (US) 2016-04-21 WO claimed
US-20160107892-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS HONEYWELL INTERNATIONAL INC. (US) 2016-04-21 US claimed
US-9272967-B2 Process for producing 1-chloro-3,3,3-trifluoropropene in an ionic liquid HONEYWELL INTERNATIONAL INC. (US) 2016-03-01 US claimed
EP-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 EP claimed
WO-2015057476-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID HONEYWELL INTERNATIONAL INC. (US) 2015-04-23 WO claimed
US-20150105596-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID SOLSTICE ADVANCED MATERIALS US, INC. 2015-04-16 US claimed
US-8946442-B2 Foamed ionic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-03 US claimed
US-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 US claimed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 US claimed
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP claimed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO claimed
WO-2008058885-A2 RADIATION-HARDENABLE COATING MASSES BASF SE (DE) 2008-05-22 WO claimed
EP-1663921-B1 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AG (DE) 2007-05-02 EP claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US claimed
EP-1663921-A2 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2006-06-07 EP claimed
WO-2005026089-A2 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2005-03-24 WO claimed
CN-109415452-B Method for producing highly reactive isobutene homo-or copolymers 巴斯夫欧洲公司 2021-10-26 CN disclosed
US-20040133058-A1 Ionic liquids as selective additives for separation of close-boiling or azeotropic mixtures BASF AKTIENGESELLSCHAFT (DE) 2004-07-08 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 (3 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-20040133058-A1 Ionic liquids as selective additives for separation of close-boiling or azeotropic mixtures KCNJ6, KCNN3, KCNN2 CA1 714/4885CA2 166/4885NPC1 1689/4885
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L CA1 1469/4885CA2 3549/4885NPC1 1213/4885
US-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 CA1 2641/4885CA2 871/4885NPC1 2128/4885

“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.