SCHEMBL3878294

SCHEMBL3878294

CCCCCCN1[C]N(C)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
TBXAS1 P24557 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
HTT P42858 4/20 0.33
DNM1 Q05193 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL3876682 1.00 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHGNAI3
SCHEMBL9905548 0.86 PTGS1 (0.37) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL16341438 0.72 TSHR (0.34) TSHR
SCHEMBL4270831 0.66 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4274617 0.66 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4270037 0.66 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL18838747 0.63 NPC1 (0.44) PTGS1PTGS2MGLLFAAHTSHR
Hexadecane SCHEMBL7035543 0.59 TSHR (0.80) TSHRTHRBDNM1LMNAMEN1
Decane SCHEMBL17434820 0.59 TSHR (0.80) TSHRTHRBDNM1LMNAMEN1
Tetradecane SCHEMBL23924271 0.59 TSHR (1.00) TSHRTHRBDNM1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580799-A Hydrogen storage based on aqueous formate-bicarbonate (bicarbonate) balance 乔迈斯计划有限责任公司 2024-02-20 CN claimed
CN-117580799-A Hydrogen storage based on aqueous formate-bicarbonate (bicarbonate) balance 乔迈斯计划有限责任公司 2024-02-20 CN disclosed
US-7501522-B2 Method for the production of purified 1,3-substituted imidazolium salts BASF AKTIENGESELLSCHAFT (DE) 2009-03-10 US disclosed
EP-1651614-B1 METHOD FOR THE PRODUCTION OF PURIFIED 1,3-SUBSTITUTED IMIDAZOLIUM SALTS BASF AG (DE) 2007-07-11 EP disclosed
US-20060149074-A1 Method for the production of purified 1,3-substituted imidazolium salts BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
EP-1651614-A1 METHOD FOR THE PRODUCTION OF PURIFIED 1,3-SUBSTITUTED IMIDAZOLIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2006-05-03 EP disclosed
WO-2005019183-A1 METHOD FOR THE PRODUCTION OF PURIFIED 1,3-SUBSTITUTED IMIDAZOLIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2005-03-03 WO 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-20060149074-A1 Method for the production of purified 1,3-substituted imidazolium salts HIRA, HAO2, HACL2 PTGS1 210/4885PTGS2 289/4885MGLL 3876/4885

“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.