SCHEMBL6880205

SCHEMBL6880205

COc1ccc2[nH]c3c(c2c1)CC1(CC3)OCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
ALOX15 P16050 3/20 0.52
TSHR P16473 2/20 0.52
RECQL P46063 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
USP2 O75604 1/20 0.52
CYP2C9 P11712 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
BAZ2B Q9UIF8 1/20 0.51
KDR P35968 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL13657844 0.83 KDR (0.48) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4024352 0.83 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL2430644 0.80 BAZ2B (0.47) BAZ2BALDH1A1KMT2AOPRM1OPRL1
SCHEMBL4280139 0.76 HTR2A (0.49) LMNABAZ2BKDM4EALDH1A1MAPT
SCHEMBL5881040 0.76 BAZ2B (0.53) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL6610802 0.75 BAZ2B (0.52) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4286367 0.75 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4279959 0.75 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL9422936 0.75 ALDH1A1 (0.43) HSD17B10CYP1A2TSHRLMNACYP2C9
SCHEMBL23875687 0.75 MEN1 (0.44) HSD17B10LMNABAZ2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
WO-2008065408-A2 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2008-06-05 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 (4 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-20080146644-A1 Tricyclic Cytoprotective Compounds HCRTR1, CDR2, MSR1 HSD17B10 1383/4885CYP1A2 2596/4885CYP2D6 4091/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 HSD17B10 678/4885CYP1A2 171/4885CYP2D6 517/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 HSD17B10 678/4885CYP1A2 171/4885CYP2D6 517/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 HSD17B10 1383/4885CYP1A2 2596/4885CYP2D6 4091/4885

“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.