SCHEMBL1639591

SCHEMBL1639591

COc1ccccc1-c1ccccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
APP P05067 1/20 0.56
PTGER1 P34995 2/20 0.55
ERN1 O75460 1/20 0.55
HTR7 P34969 1/20 0.54
RXRA P19793 1/20 0.54
BRD4 O60885 4/20 0.54
LIPE Q05469 1/20 0.53
ATM Q13315 1/20 0.53
ABCB1 P08183 2/20 0.51
IDO1 P14902 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL26013299 0.90 MAPT (0.63) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL30416387 0.86 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL791853 0.86 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
Ammonia Solution, Strong SCHEMBL2063054 0.84 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL5109238 0.81 PTGER1 (0.66) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1638070 0.81 BCHE (0.50) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL201074 0.80 RXRA (0.70) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL2574242 0.80 MAPT (0.48) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL5096276 0.79 HTR1A (0.53) HTR1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1253794 0.79 MAPT (0.85) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493933-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056424-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098427-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098427-A1 Catalyst Compounds And Use Thereof THEM6, OPRM1, NOTUM HTR1A 3549/4885ADRA1D 4308/4885ADRA1A 3978/4885

“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.