SCHEMBL1607374

SCHEMBL1607374

CCCOc1ccc(OCOC)c(C)c1OCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
POLB P06746 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.36
CSNK2A1 P68400 2/20 0.35
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29712151 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL13862857 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL1608068 0.72 MAPT (0.42) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL12587304 0.71 MAPT (0.34) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL15287726 0.71 PTPN1 (0.39) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL24608167 0.71 CYP1A2 (0.52) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL25329757 0.71 ESR1 (0.43) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL19944574 0.71 KCNN4 (0.36) ALDH1A1MAPTPTPN1NPSR1TUBB1
SCHEMBL1607641 0.70 SMN1; SMN2 (0.36) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL5452274 0.70 EGFR (0.41) ALDH1A1KDM4EMAPTHPGDPOLB

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 10 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-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 ALDH1A1 3407/4885KDM4E 4217/4885MAPT 1221/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3066/4885KDM4E 2965/4885MAPT 3883/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD ALDH1A1 4519/4885KDM4E 4745/4885MAPT 342/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 ALDH1A1 4382/4885KDM4E 4728/4885MAPT 4733/4885

“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.