SCHEMBL3783699

SCHEMBL3783699

Clc1cccc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 3/20 0.49
SERPINE1 P05121 1/20 0.48
MDM2 Q00987 1/20 0.46
CYP11B2 P19099 1/20 0.46
ADRA1A P35348 1/20 0.45
SLC6A4 P31645 2/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD11B1 P28845 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3786501 0.98 HDAC4 (0.52) KMOHDAC4HDAC2HDAC8SLC6A2
SCHEMBL3790814 0.94 SLC6A3 (0.50) KMOHDAC4HDAC2HDAC8SLC6A2
Ammonia Solution, Strong SCHEMBL7349459 0.92 SLC6A3 (0.49) KMOHDAC4HDAC2HDAC8SLC6A2
SCHEMBL29940424 0.89 SLC6A3 (0.53) SLC6A2SLC6A3ADRA1ASLC6A4HTR2A
SCHEMBL1067433 0.89 SLC6A3 (0.53) SLC6A2SLC6A3ADRA1ASLC6A4HTR2A
SCHEMBL31547364 0.89 KMO (0.47) KMOHDAC4HDAC2HDAC8SLC6A2
SCHEMBL669730 0.87 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL5667650 0.87 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL1461329 0.85 KMO (0.42) KMOHDAC4HDAC2HDAC8SLC6A2
SCHEMBL5666805 0.84 KMO (0.62) KMOHDAC4HDAC2HDAC8CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210242-A Organic molecules for optoelectronic devices 三星显示有限公司 2022-10-18 CN disclosed
US-10442990-B2 Mesogenic compounds, liquid crystal media and components for high frequency technology MERCK PATENT GMBH (DE) 2019-10-15 US disclosed
US-9765259-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9752077-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
CN-103339225-B Liquid-crystalline medium, component for high-frequency technology and mesogenic compound 默克专利股份有限公司 2016-12-21 CN disclosed
US-9523037-B2 Liquid-crystalline media, components for high-frequency technology, and mesogenic compounds MERCK PATENT GMBH (DE) 2016-12-20 US disclosed
EP-2688979-B1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2016-12-07 EP disclosed
EP-2665797-B1 LIQUID CRYSTALLINE MEDIA, COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-11-23 EP disclosed
EP-2688980-B1 MESOGEN COMPOUNDS, LIQUID CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-9296948-B2 Mesogenic compounds, liquid-crystalline media and components for high-frequency technology MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101394847-A Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC (US) 2009-03-25 CN disclosed
CN-100459274-C Nonaqueous electrolyte solution and lithium secondary battery UBE INDUSTRIES (JP) 2009-02-04 CN disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed
CN-1906794-A Nonaqueous electrolyte solution and lithium secondary battery UBE INDUSTRIES (JP) 2007-01-31 CN disclosed
EP-0442115-B1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1993-11-24 EP disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0442115-A1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1991-08-21 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KMO 19/4885HDAC4 3220/4885HDAC2 549/4885

“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.