SCHEMBL1928007

SCHEMBL1928007

Brc1ccc(OCCOCC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHEK1 O14757 1/20 0.43
LSS P48449 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL9966867 0.84 PARP15 (0.55) TDP1PARP15PARP10PARP2
SCHEMBL321289 0.84 ADRB1 (0.50) KMT2ACHEK1LTA4HPARP15PARP10
SCHEMBL4828579 0.82 ATM (0.46) KDM4ERECQLTDP1SMN1; SMN2LSS
SCHEMBL1697752 0.81 NFE2L2 (0.56) MAOBKDM4ERECQLTDP1ALDH1A1
SCHEMBL11248061 0.81 LTA4H (0.51) LTA4H
SCHEMBL321689 0.80 CHEK1 (0.40) SMN1; SMN2KMT2ACHEK1PARP15PARP10
SCHEMBL9681988 0.80 TDP1 (0.54) TSHRTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL321216 0.80 TDP1 (0.54) TSHRTDP1SMN1; SMN2KMT2AALDH1A1
SCHEMBL9681234 0.80 PARP15 (0.44) TDP1CHEK1PARP15PARP10PARP2
SCHEMBL14031270 0.80 TSHR (0.58) TSHRMAOBKDM4ETDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 TSHR 182/4885MAOB 577/4885KDM4E 665/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 TSHR 529/4885MAOB 852/4885KDM4E 630/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 TSHR 182/4885MAOB 577/4885KDM4E 665/4885

“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.