SCHEMBL4526077

SCHEMBL4526077

OCCCOCCOCCc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
MTNR1A P48039 2/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACP3 P15309 1/20 0.40

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
SCHEMBL14814398 0.98 CNR1 (0.43) CNR1CNR2ADRB2ADRB1MTNR1A
SCHEMBL4521520 0.88 MTNR1A (0.45) MTNR1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL27873879 0.87 CNR2 (0.45) CNR1CNR2MTNR1AKDM4EALDH1A1
SCHEMBL586305 0.86 CYP1A2 (0.52) MTNR1ATDP1CYP1A2CYP2C9CYP2C19
SCHEMBL80656 0.81 MTNR1A (0.50) MTNR1AKDM4EALDH1A1TDP1CYP1A2
SCHEMBL31131331 0.81 MTNR1A (0.50) MTNR1AKDM4EALDH1A1TDP1CYP1A2
SCHEMBL4524066 0.80 CYP1A2 (0.45) ADRB2ADRB1MTNR1AKDM4EALDH1A1
SCHEMBL9318058 0.79 CYP1A2 (0.40) MTNR1ASLC6A4CYP1A2CYP2C9CYP2C19
SCHEMBL132272 0.79 KDM4E (0.51) MTNR1AKDM4EALDH1A1TDP1CYP1A2
SCHEMBL29568286 0.78 NQO2 (0.43) MTNR1ASLC6A4CYP1A2CYP2C9CYP2C19

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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C CNR1 160/4885CNR2 111/4885ADRB2 1/4885

“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.