SCHEMBL22992255

SCHEMBL22992255

CCC(C)(CC)OCCOC(=O)c1ccc(C(=O)OC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
ESR1 P03372 2/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL20936355 0.82 CA12 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL26718655 0.81 ALDH1A1 (0.66) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL24436708 0.80 CA12 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL23471368 0.80 CYP4F2 (0.58) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL9683172 0.78 CYP4F2 (0.65) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL19271723 0.78 CYP4F2 (0.53) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL15124256 0.77 CA1 (0.63) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL22992253 0.77 MAPT (0.48) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL26461299 0.77 ALDH1A1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL20936392 0.77 CA12 (0.50) CYP4F2CYP4A11CA12CA1CA2

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-20210047495-A1 CHEMICAL RECYCLING OF POLYETHYLENE TEREPHTHALATE BY MICROWAVE IRRADIATION UNIV NORTH CAROLINA CHAPEL HILL (US) 2021-02-18 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-20210047495-A1 CHEMICAL RECYCLING OF POLYETHYLENE TEREPHTHALATE BY MICROWAVE IRRADIATION PGD, ME3, HK1 CYP4F2 1097/4885CYP4A11 1916/4885CA12 3122/4885

“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.