SCHEMBL5022607

SCHEMBL5022607

O=C(O)c1ccc(OC2CCCC2)c2oc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
MAOB P27338 1/20 0.40
CYP2C19 P33261 1/20 0.39
ACSL1 P33121 2/20 0.38
ACSL3 O95573 1/20 0.38
ACSL6 Q9UKU0 1/20 0.38
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL8298197 0.91 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2FABP4FABP5
SCHEMBL5016456 0.85 PDE4B (0.51) CYP19A1CYP11B1CYP11B2MAOBPDE4A
SCHEMBL5023416 0.81 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2PDE4APDE4B
SCHEMBL7707366 0.81 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2CYP2C19ACSL1
SCHEMBL5017933 0.80 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2FABP4FABP5
SCHEMBL8298275 0.79 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2PDE4APDE4B
SCHEMBL1752409 0.79 MAOA (0.51) CYP19A1CYP11B1CYP11B2PDE4BMEN1
SCHEMBL5018006 0.79 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2ACSL1ACSL3
SCHEMBL5022733 0.79 PDE4B (0.52) CYP19A1CYP11B1CYP11B2PDE4APDE4B
SCHEMBL5018032 0.79 PDE4B (0.46) CYP19A1CYP11B1CYP11B2MAOBPDE4A

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 4 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

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.