SCHEMBL3624862

SCHEMBL3624862

OCCOC(CO)CCO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13369471 1.00 THRB (0.35) THRBALDH1A1CNR1CNR2TSHR
SCHEMBL4666901 0.85
SCHEMBL6744916 0.84 ALDH1A1 (0.32) ALDH1A1CNR1CNR2TSHRMAPK1
SCHEMBL28743191 0.82 CNR2 (0.43) ALDH1A1CNR1CNR2
SCHEMBL5702007 0.80 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL9419512 0.80 ALDH1A1 (0.31) ALDH1A1CNR1CNR2
SCHEMBL10444993 0.80 LMNA (0.48) THRBALDH1A1CNR1CNR2TSHR
SCHEMBL10670026 0.80 LMNA (0.48) THRBALDH1A1CNR1CNR2TSHR
SCHEMBL10782662 0.80 MEN1 (0.44) THRBALDH1A1TSHRMAPK1MEN1
SCHEMBL28269409 0.80 LMNA (0.48) THRBALDH1A1CNR1CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306003-A1 Injectable Amino-acid Composition TOZZI DONNA M (US) 2015-10-29 US disclosed
US-20120022241-A1 Sophorolipid Analog Compositions SyntheZyme, LLC 2012-01-26 US disclosed
EP-2181999-A1 Method of manufacturing ruboxistarin Zentiva, A.S. (CZ) 2010-05-05 EP disclosed
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 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 (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-20120022241-A1 Sophorolipid Analog Compositions LSS, CUTA, SMS THRB 4735/4885ALDH1A1 3898/4885CNR1 4020/4885

“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.