SCHEMBL5657956

SCHEMBL5657956

O=C1Cc2ccccc2Oc2c1ccc1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.43
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12852220 0.81 CYP19A1 (0.51) CYP19A1KDM4EALDH1A1HPGDMAPT
SCHEMBL303160 0.79 MAOA (0.55) KDM4EALDH1A1HPGDHSD17B10MAOA
SCHEMBL7110536 0.76 PSMB5 (0.49) KDM4EMAPTMAOAMAOB
SCHEMBL1889028 0.74 KMT2A (0.49) KDM4EALDH1A1HPGDMAPTMAOA
SCHEMBL5658039 0.74 MAOA (0.41) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL4427203 0.73 MAOA (0.61) CYP19A1KDM4EALDH1A1HPGDMAPT
SCHEMBL5658535 0.73 MAOA (0.52) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL31037886 0.72 HSD17B10 (0.44) CYP19A1KDM4EALDH1A1HPGDMAPT
SCHEMBL24039796 0.72 KDM4E (0.46) CYP19A1KDM4EALDH1A1HPGDMAPT
SCHEMBL7110728 0.71 PTGS2 (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10

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-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP19A1 425/4885KDM4E 2670/4885ALDH1A1 86/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP19A1 1067/4885KDM4E 2986/4885ALDH1A1 25/4885

“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.