SCHEMBL1797654

SCHEMBL1797654

CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccccc1-c1ccc(CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.43
MLNR O43193 4/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 3/20 0.39

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
SCHEMBL1798901 0.88 HDAC1 (0.52) LPAR1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1799338 0.87 RAF1 (0.42)
SCHEMBL1798511 0.84 MLNR (0.43) LPAR1MLNRHDAC1HDAC3HDAC2
SCHEMBL1799805 0.82 HDAC1 (0.51) LPAR1HDAC1HDAC3HDAC2NCOR2
SCHEMBL9823156 0.81 HDAC1 (0.54) LPAR1HDAC1HDAC3HDAC2NCOR2
SCHEMBL1845666 0.80 MEN1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1797652 0.79 PTGER1 (0.38) LPAR1MLNRPTGER1PTGER4PTGER3
SCHEMBL1797650 0.79 PTGER1 (0.38) LPAR1MLNRPTGER1PTGER4PTGER3
SCHEMBL25048105 0.78 HDAC1 (0.44) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3695642 0.78 HDAC1 (0.55) LPAR1HDAC1HDAC3HDAC2NCOR2

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 LPAR1 845/4885MLNR 355/4885HDAC1 611/4885

“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.