SCHEMBL3213308

SCHEMBL3213308

C=C(C)c1ccc(CC(=O)OCC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NFKB1 P19838 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 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
SCHEMBL3216630 0.89 SMN1; SMN2 (0.48) DRD2SMN1; SMN2LMNAHTTMAPK1
SCHEMBL14590802 0.86 LMNA (0.44) DRD2SMN1; SMN2LMNAHTTMAPK1
SCHEMBL908271 0.82 ABL1 (0.59) DRD2SMN1; SMN2LMNAHTTMAPK1
SCHEMBL1008089 0.81 ALDH1A1 (0.49) DRD2SMN1; SMN2ALDH1A1GAAABL1
SCHEMBL31594790 0.81 ALDH1A1 (0.49) DRD2SMN1; SMN2ALDH1A1GAAABL1
SCHEMBL3229106 0.80 ALDH1A1 (0.48) DRD2ALDH1A1GAAABL1RIN1
SCHEMBL2002022 0.80 ALDH1A1 (0.67) LMNAMAPK1ALDH1A1GAANFKB1
SCHEMBL30038050 0.80 ALDH1A1 (0.67) LMNAMAPK1ALDH1A1GAANFKB1
SCHEMBL13492249 0.79 PTGS2 (0.46) SMN1; SMN2LMNAHTTMAPK1ALDH1A1
SCHEMBL3782064 0.78 LMNA (0.55) DRD2SMN1; SMN2LMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 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
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 US disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 DRD2 2635/4885SMN1; SMN2 527/4885LMNA 1961/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 DRD2 2579/4885SMN1; SMN2 1944/4885LMNA 2586/4885
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors RRM2, RRM2B, SAMHD1 DRD2 3908/4885SMN1; SMN2 2005/4885LMNA 2329/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 DRD2 2228/4885SMN1; SMN2 2230/4885LMNA 1159/4885

“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.