SCHEMBL3321479

SCHEMBL3321479

C=C(CC(CC)(CC)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ATM Q13315 1/20 0.34
KCNN4 O15554 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 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
SCHEMBL2047123 0.80 CYP2C19 (0.47) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL14921 0.79 TAAR1 (0.48) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL296800 0.77 MAOA (0.42) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL5033208 0.77 MAOA (0.42) MAOAMAOBCYP2C19HIF1AATM
SCHEMBL2170468 0.75 KCNN4 (0.48) CYP2C19HIF1AKCNN4ALDH1A1
SCHEMBL28810886 0.75 CYP2C19 (0.59) CYP2C19HIF1AKCNN4ALDH1A1MAPT
SCHEMBL9845388 0.75 CYP2C19 (0.39) CYP2C19HIF1AKCNN4ALDH1A1
Carbon Tetrachloride SCHEMBL28327161 0.74 TAAR1 (0.44) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL2399414 0.74 MAOA (0.47) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL23287920 0.73 MAOA (0.42) MAOAMAOBCYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1459726-B1 ADHESIVES FOR DENTAL USE TOKUYAMA CORP (JP) 2013-10-02 EP disclosed
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
EP-2127631-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) 2009-12-02 EP disclosed
US-7041714-B2 Dental adhesive TOKUYAMA CORPORATION (JP) 2006-05-09 US disclosed
EP-1459726-A1 ADHESIVES FOR DENTAL USE TOKUYAMA CORPORATION (JP) 2004-09-22 EP disclosed
US-20040077746-A1 Adhesives for dental use TOKUYAMA CORPORATION (JP) 2004-04-22 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 (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-20040077746-A1 Adhesives for dental use ICAM1, CDH1, VCAM1 MAOA 2282/4885MAOB 3635/4885CYP2C19 2534/4885
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 MAOA 3212/4885MAOB 3201/4885CYP2C19 4826/4885

“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.