SCHEMBL7924975

SCHEMBL7924975

COC(C)OC.O=CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RCE1 Q9Y256 1/20 0.38
TK1 P04183 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL30425720 0.86 TSHR (0.61) TSHRKMT2AALOX5TK1ALDH1A1
SCHEMBL76044 0.86 TSHR (0.61) TSHRKMT2AALOX5TK1ALDH1A1
SCHEMBL7949742 0.84 TSHR (0.42) TSHRMAPTKMT2AMEN1TAAR1
SCHEMBL22160794 0.84 TSHR (0.58) TSHRKMT2AALOX5TK1ALDH1A1
Phenylacetaldehyde SCHEMBL217860 0.80 TAAR1 (0.43) TSHRMAPTKMT2AHTTMEN1
Methylene Chloride SCHEMBL29153178 0.80 TSHR (0.54) TSHRALOX5TK1ALDH1A1CA1
SCHEMBL2281945 0.77 TSHR (0.54) TSHRHTTALDH1A1
Acetic Acid SCHEMBL12274807 0.77 ALDH1A1 (0.49) TSHRMAPTALOX5ALDH1A1
SCHEMBL12274808 0.76 SLC1A1 (0.48) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL27172833 0.75 TSHR (0.52) TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010053852-A1 Process for preparing alkyl- or aryloxyacetaldehydes DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2001-12-20 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 (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-20010053852-A1 Process for preparing alkyl- or aryloxyacetaldehydes ARSA, AOC2, AKR7A2 TSHR 1363/4885MAPT 4617/4885KMT2A 1498/4885

“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.