SCHEMBL2998745

SCHEMBL2998745

O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.53
ADRB1 P08588 8/20 0.53
ADRB3 P13945 8/20 0.53
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 3/20 0.47
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL2998748 1.00 ADRB2 (0.53) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL2997062 0.86 ADRB2 (0.59) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2997254 0.81 MEN1 (0.64) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL2992698 0.77 ADRB3 (0.67) ADRB2ADRB1ADRB3
SCHEMBL2994463 0.75 ADRB3 (0.64) ADRB2ADRB1ADRB3
SCHEMBL2993200 0.75 ADRB2 (0.57) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2990896 0.74 ADRB3 (0.70) ADRB2ADRB1ADRB3
SCHEMBL2992569 0.74 ADRB3 (0.72) ADRB2ADRB1ADRB3
SCHEMBL2993325 0.74 ADRB3 (0.67) ADRB2ADRB1ADRB3
SCHEMBL2986929 0.74 ADRB2 (0.62) ADRB2ADRB1ADRB3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 ADRB2 4160/4885ADRB1 3273/4885ADRB3 3238/4885

“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.