SCHEMBL5562369

SCHEMBL5562369

CCc1c(CCCO)nn(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
EPAS1 Q99814 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
TLR8 Q9NR97 2/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL5562687 0.93 PTGDR2 (0.33) PTGDR2
SCHEMBL14472324 0.91 PTGDR2 (0.32) PTGDR2
SCHEMBL5561074 0.87 PTGDR2 (0.34) PTGDR2
SCHEMBL5561781 0.86 PTGDR2 (0.38) PTGDR2
SCHEMBL5560603 0.82 KCNH2 (0.45) PTGDR2
SCHEMBL14454026 0.81 L3MBTL1 (0.37) PTGDR2CYP11B1CYP11B2
SCHEMBL5561288 0.81 CYP1A2 (0.40) PTGDR2
SCHEMBL14454018 0.81 PTGDR2 (0.47) PTGDR2
SCHEMBL5562279 0.80 GABRB3 (0.32) PTGDR2
SCHEMBL5556140 0.79 MAPT (0.38) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
EP-1597235-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-23 EP disclosed
US-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 US disclosed
WO-2004074257-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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 (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-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors POLRMT, RRM2B, RRM2 PTGDR2 3518/4885EPAS1 3601/4885CCNE2 1462/4885

“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.