SCHEMBL1607722

SCHEMBL1607722

COC(=O)c1ccc(OC(C)=O)c(CC=C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.57
AKR1C2 P52895 6/20 0.57
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
ABCB1 P08183 1/20 0.41
AKR1C4 P17516 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL6931615 0.87 HTT (0.63) AKR1C3AKR1C2HTTRAB9ASMN1; SMN2
SCHEMBL1608087 0.86 ALOX5 (0.56) AKR1C3AKR1C2RAB9ANPC1PKM
SCHEMBL1607798 0.86 AKR1C3 (0.64) AKR1C3AKR1C2HTTRAB9APTPN1
SCHEMBL19061608 0.85 AKR1C3 (0.56) AKR1C3AKR1C2HTTRAB9APTPN1
SCHEMBL6932461 0.84 AKR1C3 (0.59) AKR1C3AKR1C2HTTRAB9APTPN1
SCHEMBL10909155 0.81 HTT (0.72) AKR1C3HTTPKMSMN1; SMN2MAPT
SCHEMBL21044158 0.81 RAB9A (0.49) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL18375151 0.81 AKR1C3 (0.64) AKR1C3AKR1C2HTTRAB9ANPC1
SCHEMBL20660848 0.80 HTT (0.50) HTTSMN1; SMN2MAPTPTPN1ALDH1A1
SCHEMBL18087540 0.80 AKR1C3 (0.63) AKR1C3AKR1C2HTTRAB9ANPC1

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 37 patents — showing the first 20. 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
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-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-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
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-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 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-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
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-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 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 AKR1C3 4378/4885AKR1C2 4157/4885HTT 474/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN AKR1C3 3431/4885AKR1C2 3673/4885HTT 226/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 AKR1C3 2899/4885AKR1C2 2362/4885HTT 3727/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD AKR1C3 3744/4885AKR1C2 3547/4885HTT 368/4885

“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.