SCHEMBL329178

SCHEMBL329178

CCCC[n+]1cc[nH]c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RAD52 P43351 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 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
Bromide SCHEMBL204549 0.98 CA1 (0.36) HTTCA1CA2NPC1RAB9A
Iodide SCHEMBL1226177 0.98 HTT (0.35) HTTCA1CA2NPC1RAB9A
Hydrochloric Acid SCHEMBL202419 0.98 HTT (0.34) HTTCA1CA2NPC1RAB9A
Water SCHEMBL15571107 0.98 HTT (0.34) HTTCA1CA2NPC1RAB9A
SCHEMBL3742673 0.94 HTT (0.42) HTTCA1CA2NPC1RAB9A
Perchlorate SCHEMBL31677386 0.93 CA1 (0.33) HTTCA1CA2
SCHEMBL2395584 0.93 HTT (0.32) HTTCA1CA2
SCHEMBL22832293 0.93 HTT (0.32) HTTCA1CA2
Iodide SCHEMBL6010405 0.92 HTT (0.41) HTTCA1CA2NPC1RAB9A
SCHEMBL363480 0.92 HTT (0.46) HTTCA1CA2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3872054-B1 BINDING AGENT FOR AN EXPLOSIVE DIEHL DEFENCE GMBH & CO KG (DE) 2024-06-12 EP claimed
EP-2601140-B1 PROCESS FOR SEPARATING ZIRCONIUM AND HAFNIUM TETRACHLORIDES FROM MIXTURES THEREOF CENTRE NAT RECH SCIENT (FR) 2020-03-04 EP claimed
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-2698361-B1 Use of a compound comprising a polymer and an ionic liquid DIEHL BGT DEFENCE GMBH & CO KG (DE) 2017-03-29 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
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP claimed
WO-2011022771-A1 PROCESSES FOR PRODUCING SILK DOPE COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-03-03 WO claimed
WO-2010125302-A1 USE OF IONIC LIQUID FOR THE PERMANENT SHAPING OF KERATINIC FIBRES L'OREAL (FR) 2010-11-04 WO claimed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO claimed
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 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

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-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 HTT 770/4885CA1 2641/4885CA2 871/4885

“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.