SCHEMBL3216630

SCHEMBL3216630

CCOC(=O)Cc1ccc(C(C)=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
DRD2 P14416 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NFKB1 P19838 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
TNF P01375 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42

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
SCHEMBL3213308 0.89 DRD2 (0.49) SMN1; SMN2LMNAHTTMAPK1ALDH1A1
SCHEMBL14590807 0.86 LMNA (0.46) SMN1; SMN2LMNAHTTMAPK1ALDH1A1
SCHEMBL908271 0.84 ABL1 (0.59) SMN1; SMN2LMNAHTTMAPK1ALDH1A1
SCHEMBL1008089 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAADRD2ABL1
SCHEMBL31594790 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAADRD2ABL1
SCHEMBL3229106 0.82 ALDH1A1 (0.48) ALDH1A1GAADRD2ABL1RIN1
SCHEMBL2002022 0.82 ALDH1A1 (0.67) LMNAMAPK1ALDH1A1GAANFKB1
SCHEMBL30038050 0.82 ALDH1A1 (0.67) LMNAMAPK1ALDH1A1GAANFKB1
SCHEMBL2561574 0.81 GAA (0.66) SMN1; SMN2LMNAHTTMAPK1ALDH1A1
SCHEMBL25729047 0.81 PPARG (0.51) SMN1; SMN2LMNAHTTMAPK1ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
CN-100588650-C Non-nucleoside reverse transcriptase inhibitors I for the treatment of HIV mediated diseases HOFFMANN LA ROCHE 2010-02-10 CN disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
CN-1759104-A Non-nucleoside reverse transcriptase inhibitors I for the treatment of HIV mediated diseases HOFFMANN LA ROCHE (CH) 2006-04-12 CN disclosed
EP-1608633-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. Hoffmann-La Roche AG (CH) 2005-12-28 EP disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085411-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040192704-A1 Non-nucleoside 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 (5 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 SMN1; SMN2 527/4885LMNA 1961/4885HTT 1980/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 SMN1; SMN2 1944/4885LMNA 2586/4885HTT 2671/4885
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 SMN1; SMN2 1062/4885LMNA 1842/4885HTT 2589/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E SMN1; SMN2 1790/4885LMNA 1382/4885HTT 3958/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 SMN1; SMN2 2230/4885LMNA 1159/4885HTT 3446/4885

“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.