SCHEMBL23720254

SCHEMBL23720254

COc1cc(OC(C)C)ccc1COC(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.45
CRHR1 P34998 1/20 0.38
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.37
IDO1 P14902 1/20 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
SCHEMBL3639741 0.81 APLNR (0.46) APLNRCRHR1HTR2A
SCHEMBL5427153 0.81 APLNR (0.46) APLNRALDH1A1MEN1KMT2AERN1
SCHEMBL10138443 0.77 APLNR (0.53) APLNRHTR2AALDH1A1CA12CA1
SCHEMBL10636549 0.76 CA2 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL19612492 0.74 CA12 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL25062217 0.73 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL12936623 0.73 IDO1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL8282093 0.73 CA12 (0.43) CRHR1ALDH1A1CA12CA1CA2
SCHEMBL13400663 0.72 LPAR1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL24305884 0.72 CA12 (0.42) ALDH1A1CA12CA1CA2CA7

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-20210237040-A1 METAL-IODIDE CATALYTIC SYSTEM FOR DIRECT ETHERIFICATION FROM ALDEHYDES AND/OR KETONES SPECIALTY OPERATIONS FRANCE (FR) 2021-08-05 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-20210237040-A1 METAL-IODIDE CATALYTIC SYSTEM FOR DIRECT ETHERIFICATION FROM ALDEHYDES AND/OR KETONES ADH1C, ADH5, ADH1A APLNR 4837/4885CRHR1 3075/4885HTR2A 3834/4885

“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.