SCHEMBL4036049

SCHEMBL4036049

CC(=O)C=Cc1cc2c(s1)-c1cc(Cl)ccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.39
MAPK1 P28482 1/20 0.39
HRH2 P25021 3/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
MEN1 O00255 3/20 0.37
PMP22 Q01453 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL4036046 1.00 HRH4 (0.39) HRH4MAPK1HRH2CYP1A2CYP3A4
SCHEMBL4043399 0.88 HRH4 (0.38) HRH4MAPK1HRH2CYP1A2CYP3A4
SCHEMBL4037785 0.88 HRH4 (0.38) HRH4MAPK1HRH2CYP1A2CYP3A4
SCHEMBL4037833 0.86 GAA (0.39) KMT2ALMNAMAPTTDP1ALDH1A1
SCHEMBL4037837 0.86 GAA (0.39) KMT2ALMNAMAPTTDP1ALDH1A1
SCHEMBL6333988 0.76 KDM4E (0.39) MAPK1CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL4035860 0.76 ALOX5 (0.39) HRH4MAPK1HRH2KMT2AMAPT
SCHEMBL4035859 0.76 ALOX5 (0.39) HRH4MAPK1HRH2KMT2AMAPT
SCHEMBL4044717 0.76 NOTUM (0.56) HRH4MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL4046001 0.75 KDM4E (0.40) MAPK1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US claimed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 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-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A HRH4 1096/4885MAPK1 730/4885HRH2 559/4885

“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.