SCHEMBL143134

SCHEMBL143134

O=C1CCC2(CC1)OCCCO2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL658204 0.95 TRIM24 (0.36) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL46361 0.90 KMT2A (0.34) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL14506033 0.88 TRIM24 (0.41) TRIM24TRIM33ALDH1A1TSHRKDM4E
Water SCHEMBL31387323 0.87 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL7523454 0.86 GAA (0.32)
SCHEMBL13276962 0.86 TRIM24 (0.39) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL8603903 0.82 ALDH1A1 (0.46) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL31715737 0.81 GAA (0.33) ALDH1A1KMT2AMEN1CYP2C9KDM4E
SCHEMBL12350017 0.80 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL13500408 0.79 MEN1 (0.34) TRIM24TRIM33ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115266606-A Method for judging substance components of hydrothermal liquefaction water-phase product and application 中国农业大学 2022-11-01 CN disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 WO disclosed
WO-2009056233-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS BAYER CROPSCIENCE AG (DE) 2009-05-07 WO disclosed
WO-2009056233-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS BAYER CROPSCIENCE AG (DE) 2009-05-07 WO disclosed
EP-2055693-A1 Method for manufacturing substituted and unsubstituted cyclohexanone monoketales Bayer CropScience AG (DE) 2009-05-06 EP disclosed
EP-2055693-A1 Method for manufacturing substituted and unsubstituted cyclohexanone monoketales Bayer CropScience AG (DE) 2009-05-06 EP disclosed
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
WO-2007062316-A2 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-31 WO disclosed
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2007-05-24 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US disclosed
EP-1661885-A1 OPTICALLY ACTIVE ALPHA-AMINOOXYKETONE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Tokyo University of Science (JP) 2006-05-31 EP 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TRIM24 1665/4885TRIM33 847/4885ALDH1A1 1996/4885
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO TRIM24 2275/4885TRIM33 4390/4885ALDH1A1 71/4885
US-20070117986-A1 TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR anti-MANNICH REACTIONS HRH4, NR1I3, NR1I2 TRIM24 3865/4885TRIM33 4069/4885ALDH1A1 810/4885
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 TRIM24 4332/4885TRIM33 4107/4885ALDH1A1 1514/4885

“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.