SCHEMBL4288837

SCHEMBL4288837

COc1ccc2[nH]c3c(c2c1)CC(O)CC3

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.72
HTR1B P28222 3/20 0.72
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 3/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 3/20 0.58
RECQL P46063 2/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
NFKB1 P19838 1/20 0.58
PMP22 Q01453 1/20 0.58
USP2 O75604 1/20 0.54
CYP2C9 P11712 1/20 0.54
BAZ2B Q9UIF8 1/20 0.53
KDR P35968 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SIRT1 Q96EB6 1/20 0.50
MAPKAPK2 P49137 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
SCHEMBL7412220 0.86 KMT2A (0.60) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL7412246 0.85 HTR1B (0.53) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL7403551 0.84 HTR1D (0.69) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL6527024 0.84 HTR1B (1.00) HTR1DHTR1BCYP1A2CYP2D6ALOX15
Hydrochloric Acid SCHEMBL7540641 0.83 HTR1B (0.97) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL7415811 0.82 HTR1B (0.50) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL11831865 0.82 HTR1D (0.66) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL7412705 0.82 L3MBTL1 (0.51) HTR1DHTR1BRECQLLMNABAZ2B
SCHEMBL11194766 0.82 HTR1D (0.69) HTR1DHTR1BCYP1A2CYP2D6ALOX15
SCHEMBL4903902 0.82 HTR1D (0.69) HTR1DHTR1BCYP1A2CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US claimed
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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 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 (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 HTR1D 218/4885HTR1B 117/4885CYP1A2 2596/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 HTR1D 2801/4885HTR1B 1910/4885CYP1A2 171/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 HTR1D 2801/4885HTR1B 1910/4885CYP1A2 171/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 HTR1D 218/4885HTR1B 117/4885CYP1A2 2596/4885

“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.