SCHEMBL5561735

SCHEMBL5561735

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
CNR2 P34972 1/20 0.30
PTGS2 P35354 1/20 0.30
AKR1C3 P42330 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
SCHEMBL5555856 0.90 MAPT (0.37) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5556006 0.89 PTGDR2 (0.41) MAPTCARM1PRMT6PTGDR2CYP1A2
SCHEMBL5557512 0.89 PTGDR2 (0.33) MAPTCARM1PRMT6PTGDR2CYP1A2
SCHEMBL5562406 0.88 CARM1 (0.33) MAPTCARM1PRMT6PTGDR2KCNJ6
SCHEMBL5556070 0.88 SIRT1 (0.34) MAPTALDH1A1CARM1PRMT6PTGDR2
SCHEMBL5560864 0.86 CYP1A2 (0.31) MAPTCARM1PRMT6CYP1A2POLB
SCHEMBL5556140 0.84 MAPT (0.38) MAPTMEN1ALDH1A1GAAKMT2A
SCHEMBL14453992 0.84 MAPT (0.36) MAPTPTGDR2L3MBTL1CYP1A2POLB
SCHEMBL5556124 0.83 EPAS1 (0.38) MAPTCARM1PRMT6PTGDR2RECQL
SCHEMBL5561125 0.83 MEN1 (0.37) MAPTMEN1ALDH1A1GAAKMT2A

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
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-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 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-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors POLRMT, RRM2B, RRM2 MAPT 1763/4885MEN1 4719/4885ALDH1A1 1052/4885

“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.