SCHEMBL1608280

SCHEMBL1608280

CCOCOc1ccc(OC(C)C)c(OCOCC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL1607641 0.81 SMN1; SMN2 (0.36) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1607318 0.74 NPSR1 (0.39) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL5336040 0.72 SCN5A (0.44) MAPTMEN1GABRPGABRDGABRA1
SCHEMBL16670210 0.68 MAPT (0.36) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL27771050 0.67 HTR1B (0.51) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL22728204 0.67 MAPT (0.44) MAPTMEN1GABRPGABRDGABRA1
SCHEMBL25481890 0.66 NCEH1 (0.45) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL16959326 0.65 SCN4A (0.44) MAPTMEN1GABRPGABRDGABRA1
SCHEMBL8751778 0.64 L3MBTL1 (0.47) MAPTTDP1ALDH1A1
SCHEMBL23906780 0.64 SCN4A (0.47) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
EP-2438078-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2012-04-11 EP disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 WO disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P MAPT 1221/4885MEN1 3938/4885GABRP 1482/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 MAPT 3883/4885MEN1 4739/4885GABRP 3555/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD MAPT 342/4885MEN1 2090/4885GABRP 1544/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 MAPT 4733/4885MEN1 4321/4885GABRP 2954/4885

“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.