SCHEMBL4780697

SCHEMBL4780697

CCC(C)OC(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 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
SCHEMBL2984082 1.00 MAPT (0.57) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL2988615 1.00 MAPT (0.57) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL1965809 0.91 CA12 (0.53) MAPTCA12CA1CA2CA7
SCHEMBL4736415 0.85 CA12 (0.48) MAPTKMT2ACA12CA1CA2
SCHEMBL9724886 0.84 CA12 (0.67) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL13784553 0.84 CA1 (0.52) MAPTKMT2AMEN1CA12CA1
SCHEMBL92240 0.84 L3MBTL1 (0.55) MAPTKMT2AMEN1ADRB2ADRB1
SCHEMBL716832 0.84 MAPT (0.60) MAPTKMT2ACA12CA1CA2
SCHEMBL10705086 0.84 CYP4F2 (0.53) MAPTCA12CA1CA2CA7
SCHEMBL39298 0.84 CA12 (0.67) MAPTKMT2AMEN1ADRB2ADRB1

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
EP-1751087-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2007-02-14 EP claimed
WO-2005121069-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO claimed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
WO-2008034087-A2 TREATING SCHIZOPHRENIA WITH COMBINATIONS OF LEVODOPA AND AN ANTIPSYCHOTIC AGENT XENOPORT, INC. (US) 2008-03-20 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-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates MCL1, BAK1, BCLAF1 MAPT 3886/4885KMT2A 1280/4885MEN1 164/4885

“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.