SCHEMBL4037833

SCHEMBL4037833

CC(=O)/C=C/c1cc2c(s1)-c1cc(F)ccc1Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 0.35
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CA P42336 3/20 0.32
KIF11 P52732 2/20 0.32
PGR P06401 1/20 0.32
ESR2 Q92731 1/20 0.32
STK17B O94768 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4037837 1.00 GAA (0.39) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL4035859 0.90 ALOX5 (0.39) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL4035860 0.90 ALOX5 (0.39) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL4046001 0.88 KDM4E (0.40) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL4038718 0.88 KDM4E (0.40) GAAKDM4EALDH1A1L3MBTL1NOTUM
SCHEMBL4036046 0.86 HRH4 (0.39) KDM4EALDH1A1NOTUMMAPTKMT2A
SCHEMBL4036049 0.86 HRH4 (0.39) KDM4EALDH1A1NOTUMMAPTKMT2A
SCHEMBL6333988 0.76 KDM4E (0.39) GAAKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4043399 0.75 HRH4 (0.38) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL4041762 0.72 NOTUM (0.39) GAAKDM4EALDH1A1L3MBTL1NOTUM

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
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-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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 (2 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A GAA 1006/4885KDM4E 2973/4885ALDH1A1 48/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A GAA 773/4885KDM4E 3192/4885ALDH1A1 58/4885

“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.