SCHEMBL5556006

SCHEMBL5556006

CCc1c(CC(=O)O)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.41
POLB P06746 2/20 0.40
AKR1B1 P15121 1/20 0.33
MAPT P10636 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5557512 0.91 PTGDR2 (0.33) PTGDR2POLBMAPTCARM1PRMT6
SCHEMBL5556070 0.90 SIRT1 (0.34) PTGDR2POLBMAPTCARM1PRMT6
SCHEMBL5561735 0.89 MAPT (0.37) PTGDR2POLBMAPTCARM1PRMT6
SCHEMBL5562406 0.88 CARM1 (0.33) PTGDR2MAPTCARM1PRMT6
SCHEMBL5555856 0.88 MAPT (0.37) PTGDR2POLBMAPTCYP1A2CYP2C19
SCHEMBL14453992 0.86 MAPT (0.36) PTGDR2POLBMAPTCYP1A2CYP2C19
SCHEMBL5560864 0.85 CYP1A2 (0.31) POLBMAPTCARM1PRMT6CYP1A2
SCHEMBL5561125 0.85 MEN1 (0.37) MAPT
SCHEMBL14454008 0.84 CARM1 (0.33) PTGDR2MAPTCARM1PRMT6
SCHEMBL5560997 0.84 CYP1A2 (0.32) POLBCYP1A2CYP2C19

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
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
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 3518/4885POLB 35/4885AKR1B1 351/4885

“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.