SCHEMBL13434101

SCHEMBL13434101

CCOc1ccccc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.74
ADRA1D P25100 4/20 0.74
ADRA1A P35348 4/20 0.74
ADRA1B P35368 4/20 0.74
L3MBTL1 Q9Y468 3/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.63
AOC3 Q16853 1/20 0.58
LIPE Q05469 1/20 0.58
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
DRD2 P14416 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 2/20 0.52

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
Ethylene SCHEMBL27839739 0.96 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL339812 0.89 MAPT (0.71) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL23582260 0.86 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL29914010 0.86 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL10607164 0.86 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL10796837 0.84 KDM4E (0.60) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL12584881 0.84 KDM4E (0.57) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL12251449 0.84 MEN1 (0.63) HTR1AADRA1DADRA1AADRA1BL3MBTL1
1,2-Diethoxybenzene SCHEMBL578986 0.83 ALDH1A1 (0.68) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL15922822 0.83 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 HTR1A 993/4885ADRA1D 12/4885ADRA1A 15/4885

“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.