SCHEMBL7607904

SCHEMBL7607904

O=C(OCc1ccccc1)C1(C(=O)OCc2ccccc2)CCOC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5358863 0.94 KMT2A (0.54) DDB1CRBNKMT2AMEN1NPSR1
SCHEMBL5355188 0.88 KMT2A (0.51) DDB1CRBNKMT2AMEN1NPSR1
SCHEMBL16661304 0.85 DDB1 (0.56) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL3028267 0.82 DDB1 (0.46) DDB1CRBNKMT2AMEN1NPSR1
SCHEMBL20599446 0.82 ALDH1A1 (0.46) DDB1CRBNKMT2AMEN1NPSR1
SCHEMBL18493339 0.82 DDB1 (0.54) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL7228727 0.81 DDB1 (0.52) DDB1CRBNKMT2AALDH1A1MAPK1
SCHEMBL7606349 0.80 DDB1 (0.44) DDB1CRBNKMT2AMEN1NPSR1
Fluoride SCHEMBL27773141 0.80 ALDH1A1 (0.50) DDB1CRBNALDH1A1
SCHEMBL1966881 0.80 KMT2A (0.52) DDB1CRBNKMT2AMEN1NPSR1

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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 DDB1 2333/4885CRBN 4750/4885KMT2A 4673/4885

“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.