SCHEMBL4287532

SCHEMBL4287532

O=C(O)C1Cc2[nH]c3ccccc3c2C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP19A1 P11511 2/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACE P12821 2/20 0.50
DRD5 P21918 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL31078487 1.00 CYP2D6 (0.52) CYP2D6TSHRMAPK1CYP19A1KDM4E
SCHEMBL4282646 0.86 RB1 (0.53) KDM4EDRD5NR2E1
SCHEMBL2309545 0.86 NR2E1 (0.60) CYP2D6CYP19A1KDM4EALDH1A1MAPT
SCHEMBL12660565 0.86 NR2E1 (0.60) CYP2D6CYP19A1KDM4EALDH1A1MAPT
SCHEMBL31078875 0.86 NR2E1 (0.60) CYP2D6CYP19A1KDM4EALDH1A1MAPT
SCHEMBL28617486 0.82 KDM4E (0.67) CYP2D6TSHRMAPK1CYP19A1KDM4E
SCHEMBL28258680 0.81 CYP2D6 (0.53) CYP2D6TSHRMAPK1KDM4EALDH1A1
SCHEMBL8592516 0.79 SIRT1 (0.68) KDM4ENR2E1
Cyclomethyltryptophan SCHEMBL416557 0.78 KDM4E (0.71) CYP2D6TSHRMAPK1CYP19A1KDM4E
Cyclomethyltryptophan SCHEMBL7889282 0.78 KDM4E (0.71) CYP2D6TSHRMAPK1CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121527-A Tricyclic compound and use thereof 上海辉启生物医药科技有限公司 2021-07-16 CN disclosed
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
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-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
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 CYP2D6 4091/4885TSHR 66/4885MAPK1 2371/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 CYP2D6 517/4885TSHR 3738/4885MAPK1 877/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 CYP2D6 517/4885TSHR 3738/4885MAPK1 877/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 CYP2D6 4091/4885TSHR 66/4885MAPK1 2371/4885

“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.