SCHEMBL573670

SCHEMBL573670

C=CCn1cc[n+](C)c1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
Iodide SCHEMBL14765236 0.98 ACHE (0.41) ACHENPC1RAB9AMEN1USP2
Hydrochloric Acid SCHEMBL29227043 0.98 ACHE (0.45) ACHENPC1RAB9AMEN1USP2
Bromide SCHEMBL31481338 0.98 ACHE (0.41) ACHENPC1RAB9AMEN1USP2
Sulfuric Acid SCHEMBL28982258 0.90 ACHE (0.37) ACHENPC1RAB9A
SCHEMBL2749881 0.80 ACHE (0.42) ACHEHDAC8
SCHEMBL30646141 0.77 CA1 (0.38) MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL1077570 0.76 CA1 (0.40) MEN1KMT2ACA1CA2
SCHEMBL294564 0.74
SCHEMBL28394690 0.74 ACHE (0.47) ACHEMEN1KMT2ACA1CA2
SCHEMBL2400202 0.73 ACHE (0.44) ACHEMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924180-A Indium-based hybrid metal halide crystal and preparation method and application thereof 中国科学院福建物质结构研究所 2024-04-26 CN claimed
CN-112777585-B Two-dimensional composite material, preparation method and application thereof 清华大学 2022-10-04 CN claimed
CN-113948777-A Ionic liquid electrolyte and preparation method and application thereof 湘潭大学 2022-01-18 CN claimed
CN-112777585-A Two-dimensional composite material, preparation method and application thereof 清华大学 2021-05-11 CN claimed
EP-3636638-A1 COMPOSITION COMPRISING AN IONIC LIQUID WITH FLUORINATED ANION proionic GmbH (AT) 2020-04-15 EP claimed
EP-3221435-B1 USE FOR IMPROVING THE COKING RESISTANCE OF A LUBRICATING COMPOSITION NYCO (FR) 2019-05-08 EP claimed
EP-3221435-A1 METHOD FOR IMPROVING THE COKING RESISTANCE OF A LUBRICATING COMPOSITION NYCO (FR) 2017-09-27 EP claimed
US-20160254098-A1 METHOD FOR PREPARING IONIC LIQUID HAVING CARBOXYLIC ACID ANION USING MICROREACTOR CHEMTECH RESEARCH INCORPORATION (KR) 2016-09-01 US claimed
WO-2016079437-A1 METHOD FOR IMPROVING THE COKING RESISTANCE OF A LUBRICATING COMPOSITION NYCO (FR) 2016-05-26 WO claimed
US-9267212-B2 Method and system for production of oxalic acid and oxalic acid reduction products LIQUID LIGHT, INC. (US) 2016-02-23 US claimed
WO-2014100828-A1 METHOD AND SYSTEM FOR PRODUCTION OF OXALIC ACID AND OXALIC ACID REDUCTION PRODUCTS LIQUID LIGHT, INC. (US) 2014-06-26 WO claimed
US-20130319022-A1 SURFACE TREATMENTS FOR DESSICANT MEDIA IN A WATER RECOVERY DEVICE Z124 (KY) 2013-12-05 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
US-20120204717-A1 APPARATUS AND METHOD FOR REMOVING CO2 FROM A PRODUCTION PLANT DISCHARGE MUNTERS CORPORATION (US) 2012-08-16 US claimed
US-20110247494-A1 LIQUID SORBANT, METHOD OF USING A LIQUID SORBANT, AND DEVICE FOR SORBING A GAS VTU Holding GmbH. (AT) 2011-10-13 US claimed
US-20110015245-A1 BENDAMUSTINE AMPHIPHILIC CATIONIC COMPOSITIONS SUPRATEK PHARMA INC. (CA) 2011-01-20 US claimed
US-20100188620-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS LG CHEM, LTD. (KR) 2010-07-29 US claimed
JP-2010525098-A 2010-07-22 JP claimed
EP-2147072-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS LG Chem, Ltd. (KR) 2010-01-27 EP claimed
WO-2008130136-A1 ACRYLIC PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS LG CHEM, LTD. (KR) 2008-10-30 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 (2 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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT ACHE 1851/4885NPC1 2550/4885RAB9A 142/4885
US-20160254098-A1 METHOD FOR PREPARING IONIC LIQUID HAVING CARBOXYLIC ACID ANION USING MICROREACTOR HCN4, ASIC1, ASIC3 ACHE 4055/4885NPC1 719/4885RAB9A 2489/4885

“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.