SCHEMBL1798511

SCHEMBL1798511

CC(C)OCCCN(Cc1ccccc1-c1ccc(CCO)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.43
LPAR1 Q92633 7/20 0.39
FSHR P23945 1/20 0.38
NR1H2 P55055 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL1797654 0.84 LPAR1 (0.43) MLNRLPAR1HDAC1HDAC6HDAC3
SCHEMBL1801655 0.82 HDAC1 (0.38) NR1H2HDAC1HDAC6CYP4F2CYP4A11
SCHEMBL1799338 0.78 RAF1 (0.42) KDM4E
SCHEMBL1799805 0.76 HDAC1 (0.51) LPAR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1797650 0.76 PTGER1 (0.38) MLNRLPAR1LTB4R2
SCHEMBL1797652 0.76 PTGER1 (0.38) MLNRLPAR1LTB4R2
SCHEMBL1798901 0.73 HDAC1 (0.52) LPAR1HDAC1HDAC6HDAC3HDAC2
SCHEMBL8697074 0.71 NR1H2 (0.42) MLNRFSHRNR1H2HDAC1HDAC3
SCHEMBL1802397 0.71 HDAC1 (0.43) LPAR1NR1H2HDAC1CYP4F2CYP4A11
SCHEMBL1802560 0.70 SSTR4 (0.43) LPAR1HDAC1HDAC6KDM4EHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 MLNR 355/4885LPAR1 845/4885FSHR 1198/4885

“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.