SCHEMBL1608046

SCHEMBL1608046

COc1ccc(O)c(C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
MAOB P27338 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TUBB1 Q9H4B7 2/20 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
SCHEMBL9123318 0.85 MAPT (0.52) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL70459 0.83 ESR1 (0.49) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL2319557 0.81 TYR (0.37) ALDH1A1TP53HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL11424028 0.81 ESR1 (0.47) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL7861678 0.81 HIF1A (0.55) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL2047245 0.81 MAPT (0.48) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL9742294 0.80 KDM4E (0.65) ALDH1A1TP53HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL28767777 0.79 ESR1 (0.46) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL27423381 0.79 MAPT (0.50) ALDH1A1TP53HPGDKDM4ELMNA
SCHEMBL69957 0.79 MAPT (0.62) ALDH1A1TP53HPGDKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207994-B Photolabile acetal and ketal compounds for controlled release of active volatile carbonyl compounds 弗门尼舍有限公司 2021-06-18 CN disclosed
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-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues 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
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US 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 ALDH1A1 3407/4885TP53 919/4885HPGD 1743/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3066/4885TP53 239/4885HPGD 803/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD ALDH1A1 4519/4885TP53 589/4885HPGD 1547/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 ALDH1A1 4382/4885TP53 81/4885HPGD 1357/4885

“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.