SCHEMBL4095421

SCHEMBL4095421

COc1ccc(CNc2cnc3cc(OCc4ccccc4)ccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
HPGDS O60760 1/20 0.53
MAOB P27338 3/20 0.52
F2 P00734 1/20 0.51
PPARA Q07869 2/20 0.51
CYP3A4 P08684 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
BCHE P06276 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
ATM Q13315 1/20 0.49
EGFR P00533 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL2636983 0.86 PPARA (0.60) MAOBF2PPARAPPARGPPARD
SCHEMBL28048000 0.84 PDGFRB (0.61) PDGFRBPDGFRAMEN1KMT2ATP53
SCHEMBL19519272 0.84 PDGFRB (0.52) PDGFRBPDGFRAHPGDSMAOBPPARG
SCHEMBL7880648 0.83 PDGFRB (0.54) PDGFRBPDGFRAHPGDSMAOBMEN1
SCHEMBL14784133 0.83 PDGFRB (0.60) PDGFRBPDGFRAMAOBF2CYP3A4
SCHEMBL12958076 0.82 PDGFRB (0.55) PDGFRBPDGFRAHPGDSMEN1KMT2A
SCHEMBL9703883 0.81 MAPT (0.63) MAOBF2PPARAPPARGPPARD
SCHEMBL29338547 0.77 HPGDS (0.53) PDGFRBPDGFRAHPGDS
SCHEMBL31060230 0.77 PDGFRB (1.00) PDGFRBPDGFRAMEN1KMT2AGAA
SCHEMBL18571363 0.75 CYP3A4 (0.59) PDGFRBPDGFRAHPGDSMAOBCYP3A4

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-8212012-B2 Novobiocin analogues having modified sugar moieties 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
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US 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
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 (3 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 PDGFRB 2759/4885PDGFRA 3623/4885HPGDS 821/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 PDGFRB 1922/4885PDGFRA 2746/4885HPGDS 1075/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD PDGFRB 3323/4885PDGFRA 3991/4885HPGDS 821/4885

“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.