SCHEMBL5016468

SCHEMBL5016468

CC(C)Oc1ccc(C=O)c2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
CYP17A1 P05093 2/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 5/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN1 P18031 1/20 0.34
MAOB P27338 1/20 0.34
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
HPGD P15428 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL8169795 0.86 PDE4B (0.43) CYP19A1CYP11B1CYP11B2CYP17A1MAPT
SCHEMBL1647979 0.85 MAOA (0.52) CYP19A1CYP11B1CYP11B2CYP17A1MAPT
SCHEMBL5022652 0.81 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2MAPTMAOA
SCHEMBL3724543 0.79 MAOA (0.57) CYP19A1CYP11B1CYP11B2CYP17A1MAPT
SCHEMBL5026521 0.77 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL5022822 0.76 MAPT (0.48) MAPTALDH1A1KDM4ENPC1LMNA
SCHEMBL5018006 0.75 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2MAOAKDM4E
SCHEMBL8298813 0.75 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL5016548 0.74 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL19602295 0.74 F2RL1 (0.45) MAPTMAOAALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-19 US disclosed
EP-1554262-B1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD (IN) 2007-12-05 EP disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US disclosed
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 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 (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-20080146810-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LTC4S, TSLP, GPR119 CYP19A1 248/4885CYP11B1 96/4885CYP11B2 105/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 CYP19A1 248/4885CYP11B1 96/4885CYP11B2 105/4885

“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.