SCHEMBL2790888

SCHEMBL2790888

O=C(COc1cccc(Br)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.64
MAPT P10636 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MRGPRX4 Q96LA9 1/20 0.58
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
MAOB P27338 2/20 0.54
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 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
SCHEMBL5839185 0.83 NR4A2 (0.66) MAPTMEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL1958001 0.83 LMNA (0.64) GRM4MAPTKMT2AMRGPRX4HSD17B10
SCHEMBL1068092 0.82 MAPT (0.69) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11066998 0.82 KMT2A (0.62) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11643263 0.82 PTPN7 (0.56) GRM4MAPTMEN1KMT2AMRGPRX4
SCHEMBL5107094 0.82 GRM4 (0.58) GRM4MAPTMEN1KMT2AMRGPRX4
SCHEMBL2791916 0.81 NPC1 (0.63) GRM4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2794292 0.81 MAPT (0.64) MAPTMEN1KMT2AMRGPRX4SMN1; SMN2
Hydrochloric Acid SCHEMBL8136104 0.81 MAPT (0.67) MAPTMEN1KMT2ASMN1; SMN2LMNA
Methane SCHEMBL28765047 0.81 MAPT (0.67) MAPTMEN1KMT2ASMN1; SMN2LMNA

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
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 US disclosed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 WO disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C GRM4 895/4885MAPT 2630/4885MEN1 4282/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C GRM4 895/4885MAPT 2630/4885MEN1 4282/4885

“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.