SCHEMBL3322808

SCHEMBL3322808

OB(OCCCC(c1ccccc1)c1ccccc1)OCCCC(c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.47
HTR2A P28223 5/20 0.47
SIGMAR1 Q99720 3/20 0.41
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP19A1 P11511 2/20 0.36
TBXAS1 P24557 1/20 0.36
EPHX2 P34913 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4532447 0.98 HRH1 (0.48) HRH1HTR2ASIGMAR1GRM2GRM3
Tetramethylammonium Ion SCHEMBL8398859 0.91 HRH1 (0.43) HRH1HTR2ASIGMAR1GRM2GRM3
Tetrylammonium SCHEMBL8395108 0.87 SIGMAR1 (0.41) HRH1HTR2ASIGMAR1GRM2GRM3
Tetrabuthylammonium SCHEMBL8398750 0.83 SIGMAR1 (0.39) HRH1HTR2ASIGMAR1KCNH2
SCHEMBL8400397 0.82 HRH1 (0.39) HRH1HTR2ASIGMAR1GRM2GRM3
SCHEMBL8398517 0.82 HTR2A (0.40) HRH1HTR2ASIGMAR1KCNH2
SCHEMBL5858776 0.82 CYP19A1 (0.41) HRH1HTR2ACYP19A1
SCHEMBL8650611 0.78 LMNA (0.35) HRH1HTR2AKCNH2
Tetramethylammonium Ion SCHEMBL8396033 0.78 CYP19A1 (0.38) HRH1HTR2ACYP19A1
SCHEMBL7784138 0.76 HRH1 (0.58) HRH1HTR2ASIGMAR1CYP19A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120941-A1 ADHESIVE AGENT FOR ADHESION BETWEEN ALGINATE IMPRESSION MATERIAL FOR DENTAL APPLICATIONS AND IMPRESSION TRAY, AND KIT COMPRISING THE ADHESIVE AGENT TOKUYAMA DENTAL CORPORATION (JP) 2010-05-13 US 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-20100120941-A1 ADHESIVE AGENT FOR ADHESION BETWEEN ALGINATE IMPRESSION MATERIAL FOR DENTAL APPLICATIONS AND IMPRESSION TRAY, AND KIT COMPRISING THE ADHESIVE AGENT ICAM1, ITGB8, TRA2B HRH1 1367/4885HTR2A 543/4885SIGMAR1 1492/4885

“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.