SCHEMBL4097942

SCHEMBL4097942

CC(C)Oc1ccc(-c2cc3c(cc(C(=O)O)n3-c3ccc(OC(C)C)cc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.57
MCL1 Q07820 8/20 0.42
BCL2 P10415 5/20 0.42
MDM2 Q00987 5/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MCHR1 Q99705 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.36
PARP10 Q53GL7 1/20 0.35
FDPS P14324 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
SCHEMBL4096225 0.91 PTGES (0.54) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4101699 0.90 PTGES (0.48) PTGESMCL1BCL2MDM2
SCHEMBL4101700 0.90 PTGES (0.48) PTGESMCL1BCL2MDM2
SCHEMBL4086721 0.89 PTGES (0.48) PTGESMCL1BCL2MDM2PKM
SCHEMBL4092676 0.88 PTGES (0.47) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4105667 0.86 PTGES (0.48) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4086547 0.86 MAPT (0.46) PTGESKMT2AALDH1A1MCHR1PKM
SCHEMBL4091286 0.85 PTGES (0.44) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4098949 0.82 PTGES (0.41) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4103994 0.82 PTGES (0.56) PTGESMCL1BCL2MDM2KMT2A

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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885MCL1 2475/4885BCL2 1702/4885

“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.