SCHEMBL3227905

SCHEMBL3227905

CCOC(=O)Cc1cc(C)c(C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
ALOX5 P09917 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 2/20 0.42
CYP4Z1 Q86W10 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FASN P49327 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL13492121 0.86 GAA (0.48) ALDH1A1GAAKDM4ESMN1; SMN2CYP4Z1
SCHEMBL3457181 0.83 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL26729956 0.81 GAA (0.56) ALDH1A1GAAKMT2AMEN1
SCHEMBL12191688 0.81 L3MBTL1 (0.50) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL1008089 0.81 ALDH1A1 (0.49) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL31594790 0.81 ALDH1A1 (0.49) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL4804283 0.80 SMN1; SMN2 (0.42) ALDH1A1GAAKDM4ESMN1; SMN2CYP4Z1
SCHEMBL908271 0.79 ABL1 (0.59) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL11709705 0.78 ALDH1A1 (0.50) ALDH1A1GAAALOX5KMT2AMEN1
SCHEMBL12368043 0.78 CYP4Z1 (0.46) ALDH1A1GAAALOX5SMN1; SMN2CYP4Z1

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 23 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
CN-1946680-B Non-nucleoside reverse transcriptase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2011-04-06 CN 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
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
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 US disclosed
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 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 (6 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 ALDH1A1 261/4885GAA 1780/4885ALOX5 3079/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 ALDH1A1 428/4885GAA 2083/4885ALOX5 3423/4885
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 ALDH1A1 395/4885GAA 351/4885ALOX5 3291/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E ALDH1A1 321/4885GAA 602/4885ALOX5 2578/4885
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors RRM2, RRM2B, SAMHD1 ALDH1A1 1174/4885GAA 234/4885ALOX5 3861/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 ALDH1A1 2794/4885GAA 1411/4885ALOX5 3651/4885

“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.