SCHEMBL4465325

SCHEMBL4465325

c1ccc2c(c1)CCc1ccccc1CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
HTR2C P28335 1/20 0.59
CYP2A6 P11509 1/20 0.58
CES1 P23141 1/20 0.53
MAOB P27338 3/20 0.50
ORAI1 Q96D31 1/20 0.50
ORAI2 Q96SN7 1/20 0.50
ORAI3 Q9BRQ5 1/20 0.50
PNMT P11086 1/20 0.50
CD44 P16070 1/20 0.50
MAOA P21397 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
PLAU P00749 1/20 0.46
CYP1A2 P05177 1/20 0.44
RET P07949 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL29351986 1.00
SCHEMBL34906 1.00
SCHEMBL33555 1.00
Hydrogen Sulfide SCHEMBL7469110 0.96
Hydrochloric Acid SCHEMBL21176564 0.96 TSHR (0.67) TSHRHTR2CCYP2A6CES1MAOB
Ammonia Solution, Strong SCHEMBL330529 0.96
Hydrochloric Acid SCHEMBL28647349 0.96
Bromide SCHEMBL917076 0.96
Water SCHEMBL1168306 0.96
SCHEMBL31294878 0.96

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778800-B1 Methods of making supercapacitor cells and micro-supercapacitors HRL LABORATORIES, LLC (US) 2014-07-15 US claimed
US-8503161-B1 Supercapacitor cells and micro-supercapacitors HRL LABORATORIES, LLC (US) 2013-08-06 US claimed
US-7511100-B2 Process for the production of crosslinked polymer employing low VOC-producing silane crosslinker and resulting crosslinked polymer MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-03-31 US claimed
WO-2024040076-A1 EXTRACELLULAR VESICLE COMPRISING A BIOLOGICALLY ACTIVE MOLECULE AND A CELL PENETRATNG PEPTIDE CLEAVABLE LINKER LONZA SALES AG (CH) 2024-02-22 WO disclosed
US-9269927-B2 Method and compound CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2016-02-23 US disclosed
US-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORP (JP) 2014-12-11 US disclosed
US-8901312-B2 Cyclic compound, method for producing cyclic compound, and method for modifying biological molecule JNC CORPORATION (JP) 2014-12-02 US disclosed
US-8778800-B1 Methods of making supercapacitor cells and micro-supercapacitors HRL LABORATORIES, LLC (US) 2014-07-15 US disclosed
US-20140193937-A1 METHOD AND COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2014-07-10 US disclosed
US-8503161-B1 Supercapacitor cells and micro-supercapacitors HRL LABORATORIES, LLC (US) 2013-08-06 US disclosed
WO-2013005026-A2 POLYMERS, MONOMERS AND METHODS OF FORMING POLYMERS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-01-10 WO disclosed
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE JNC CORPORATION (JP) 2013-01-10 US disclosed
EP-0416436-A1 Filler containing thermoplastic mouldings BASF Aktiengesellschaft (DE) 1991-03-13 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 (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-20140364594-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC TSHR 2131/4885HTR2C 3804/4885CYP2A6 1637/4885
US-20130011901-A1 CYCLIC COMPOUND, METHOD FOR PRODUCING CYCLIC COMPOUND, AND METHOD FOR MODIFYING BIOLOGICAL MOLECULE PTMS, CD38, TIMCC TSHR 2131/4885HTR2C 3804/4885CYP2A6 1637/4885

“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.