SCHEMBL1799986

SCHEMBL1799986

COC(=O)Cc1ccc(-c2cccc(C=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SLC7A5 Q01650 1/20 0.44
NAT1 P18440 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL1798827 0.90 SLC7A5 (0.51) TRIM24TRIM33ALDH1A1MEN1KMT2A
SCHEMBL12646439 0.86 TRIM24 (0.51) TRIM24TRIM33ALDH1A1MEN1KMT2A
SCHEMBL1124854 0.86 ALDH1A1 (0.47) TRIM24TRIM33ALDH1A1MEN1KMT2A
SCHEMBL7214877 0.85 CYP4F2 (0.54) ALDH1A1KMT2AMAPTKDM4ECYP4F2
SCHEMBL9860282 0.84 TRIM24 (0.58) TRIM24TRIM33CA12CA1CA2
SCHEMBL3357146 0.83 GAA (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1124720 0.83 SLC7A5 (0.56) ALDH1A1MAPTCYP4F2CYP4A11SLC7A5
SCHEMBL645184 0.80 CYP4F2 (0.59) ALDH1A1KMT2AMAPTKDM4ECYP4F2
SCHEMBL1428025 0.80 LMNA (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL19068063 0.79 TAAR1 (0.54) CYP4F2CYP4A11

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-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
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 WO 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 TRIM24 3624/4885TRIM33 2566/4885ALDH1A1 1203/4885

“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.