SCHEMBL21705211

SCHEMBL21705211

C=C(C)C(=O)OCCCc1ccc(OCC2CO2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
FKBP1A P62942 3/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
APP P05067 1/20 0.39
MET P08581 1/20 0.39
PPARA Q07869 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRB2 P07550 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL26158417 0.89 DRD4 (0.39) MTNR1AMTNR1BFKBP1ACHRM5CHRM1
SCHEMBL21705198 0.87 ALDH1A1 (0.48) ALDH1A1FKBP1ATNKS2KMT2ADRD2
SCHEMBL21680115 0.87 ALDH1A1 (0.50) ALDH1A1PPARAKMT2ANPC1RAB9A
SCHEMBL21705205 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1MEN1POLB
SCHEMBL22493504 0.81 HIF1A (0.43) ALDH1A1KMT2AADRB2DRD2DRD1
SCHEMBL22493496 0.80 TNKS2 (0.44) ALDH1A1TNKS2DRD4POLB
SCHEMBL4399549 0.79 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL4401967 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL4401095 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL678094 0.78 CALM1 (0.45) ALDH1A1PPARAKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667669-B2 Epoxy-(meth)acrylate monomers and polymers and methods of making and using the same ROWAN UNIVERSITY (US) 2023-06-06 US disclosed
US-20200048301-A1 EPOXY-(METH)ACRYLATE MONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME ROWAN UNIVERSITY 2020-02-13 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 (2 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-11667669-B2 Epoxy-(meth)acrylate monomers and polymers and methods of making and using the same PTGES, PTGIS, EPX ALDH1A1 102/4885MTNR1A 1111/4885MTNR1B 1566/4885
US-20200048301-A1 EPOXY-(METH)ACRYLATE MONOMERS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME PTGES, PTGIS, EPX ALDH1A1 102/4885MTNR1A 1111/4885MTNR1B 1566/4885

“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.