SCHEMBL4654604

SCHEMBL4654604

C=CC(O)COC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
ADRB2 P07550 3/20 0.53
ADRB1 P08588 3/20 0.53
ADRB3 P13945 3/20 0.53
PRKCA P17252 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.47
SLC1A5 Q15758 1/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
F2 P00734 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 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
SCHEMBL4654599 1.00 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL9491027 1.00 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL8463735 0.85 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL8875624 0.84 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL15304002 0.81 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL26671198 0.81 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL28326459 0.81 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL3022669 0.80 ALDH1A1 (0.72) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL23780862 0.80 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL8064782 0.80 ALDH1A1 (1.00) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230002-A1 NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2023-11-30 WO disclosed
WO-2023230002-A1 NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2023-11-30 WO disclosed
EP-1195393-B1 Process for preparing ethylene interpolymers and ethylene interpolymers obtained therefrom WESTLAKE LONGVIEW CORP (US) 2010-04-07 EP disclosed
EP-1572652-B1 PROCESS FOR PREPARING PYRIDINIUM FLUOROCHROMATE (VI) COUNCIL SCIENT IND RES (IN) 2008-10-01 EP disclosed
EP-1572652-A1 PROCESS FOR PREPARING PYRIDINIUM FLUOROCHROMATE (VI) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-14 EP disclosed
US-6852859-B2 Process for preparing pyridinium fluorochromate (VI) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-02-08 US disclosed
US-20040133003-A1 Process for preparing pyridinium fluorochromate (VI) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-07-08 US disclosed
WO-2004054976-A1 PROCESS FOR PREPARING PYRIDINIUM FLUOROCHROMATE (VI) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-01 WO 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 (1 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-20040133003-A1 Process for preparing pyridinium fluorochromate (VI) PNPO, NOX5, WASHC5 ALDH1A1 3459/4885ADRB2 4188/4885ADRB1 4033/4885

“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.