SCHEMBL5026504

SCHEMBL5026504

O=C(c1ccc(OCC2CC2)c2oc3ccccc3c12)[NH+]([O-])c1ncc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PTGER1 P34995 7/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
KMO O15229 2/20 0.33
PDE4D Q08499 2/20 0.32
F2RL1 P55085 1/20 0.32
PDE4B Q07343 2/20 0.32
S1PR2 O95136 1/20 0.32
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
ACSL1 P33121 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5026559 0.85 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2PTGER1TRPM8
SCHEMBL5026592 0.81 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2PDE4DPDE4B
SCHEMBL5016532 0.81 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2KMOF2RL1
SCHEMBL5017939 0.80 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2PDE4DF2RL1
SCHEMBL5017933 0.76 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2KMOPDE4D
SCHEMBL5023418 0.75 PDE4B (0.51) CYP19A1CYP11B1CYP11B2PDE4DPDE4B
SCHEMBL14174067 0.72 PDE4B (0.41) CYP19A1CYP11B1CYP11B2PDE4DPDE4B
SCHEMBL14184591 0.70 PDE4B (0.42) CYP19A1CYP11B1CYP11B2PDE4DPDE4B
SCHEMBL5017972 0.70 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2PDE4DPDE4B
SCHEMBL5022728 0.70 PDE4A (0.51) CYP19A1CYP11B1CYP11B2PDE4DPDE4B

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.