SCHEMBL773970

SCHEMBL773970

COc1ccc(C(=O)CO[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
GSK3B P49841 1/20 0.58
ESR2 Q92731 1/20 0.55
MAPT P10636 2/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PDE4B Q07343 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL6379810 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11450666 0.81 NPC1 (0.53) GSK3BMAPTCES2CES1NPC1
SCHEMBL246263 0.81 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11323924 0.81 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21100591 0.79 MAPT (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9242009 0.78 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10465722 0.78 GSK3B (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11074836 0.78 GSK3B (0.53) GSK3BESR2MAPTCES2CES1
SCHEMBL1282 0.77 MAPT (0.52) GSK3BESR2MAPTCES1NPC1
SCHEMBL153386 0.77 ALDH1A1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
US-5457195-A Sapphyrin derivatives and conjugates BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US claimed
WO-1994009003-A1 SAPPHYRIN DERIVATIVES, CONJUGATES AND POLYMERS THEREOF AND EXPANDED PORPHYRIN CHROMATOGRAPHIC SUPPORTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-04-28 WO claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
EP-3434713-B1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10836861-B2 Methods of preparing and purifying polyalkylene glycol derivative SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-17 US disclosed
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-12 US disclosed
EP-3434713-A1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES Shin-Etsu Chemical Co., Ltd. (JP) 2019-01-30 EP disclosed
US-20190023841-A1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-01-24 US disclosed
US-20170275305-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2017-09-28 US disclosed
US-9708350-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-5530123-A ANTIVIRAL AND CHEMOTHERAPEUTICAL AGENT FOR CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-06-25 US disclosed
WO-1995029702-A1 TEXAPHYRIN SOLID-SUPPORTS AND DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-11-09 WO disclosed
US-5457195-A Sapphyrin derivatives and conjugates BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
US-5410045-A As anion chelators, receptors and transporters BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-04-25 US disclosed
WO-1994009003-A1 SAPPHYRIN DERIVATIVES, CONJUGATES AND POLYMERS THEREOF AND EXPANDED PORPHYRIN CHROMATOGRAPHIC SUPPORTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-04-28 WO disclosed
US-4438265-A Esters of 7-sulfenyliminocephem-4-carboxylic acids SANKYO COMPANY LIMITED (JP) 1984-03-20 US disclosed
US-4162251-A Process for the preparation of β-lactam compounds SANKYO COMPANY LIMITED (JP) 1979-07-24 US disclosed
US-4017488-A Process for preparing 7β-acylamino-7α-alkoxycephalosporins SANKYO COMPANY LIMITED (JA) 1977-04-12 US disclosed
US-3960845-A HALOGENATION SANKYO COMPANY LIMITED (JA) 1976-06-01 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 (2 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-20170275305-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR ADH1A, ADH1C, AP3M1 HDAC3 4219/4885HDAC4 4484/4885HDAC1 2819/4885
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator ADH1A, ADH1C, AP3M1 HDAC3 4219/4885HDAC4 4484/4885HDAC1 2819/4885

“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.