SCHEMBL6311344

SCHEMBL6311344

CCOC(=O)C=Cc1ccc(O)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
DPP4 P27487 2/20 0.52
TTR P02766 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAOB P27338 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
CYP3A4 P08684 2/20 0.47
APP P05067 4/20 0.41
MLYCD O95822 1/20 0.40
CNKSR1 Q969H4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL6311338 1.00 ESR1 (0.54) ESR1DPP4TTRCA12CA1
SCHEMBL27427808 0.84 ESR1 (0.55) ESR1DPP4TTRCA12CA1
SCHEMBL6317456 0.81 EPAS1 (0.47) ESR1DPP4TTRCA12CA1
SCHEMBL6317451 0.81 EPAS1 (0.47) ESR1DPP4TTRCA12CA1
SCHEMBL16077409 0.80 FDPS (0.49) ESR1DPP4TTRCA12CA1
SCHEMBL16077410 0.79 FDPS (0.48) ESR1DPP4TTRCA12CA1
SCHEMBL28358712 0.79 FDPS (0.48) ESR1DPP4TTRCA12CA1
SCHEMBL16114417 0.78 TTR (0.56) ESR1DPP4TTRCA12CA1
SCHEMBL16114416 0.78 TTR (0.56) ESR1DPP4TTRCA12CA1
SCHEMBL28123328 0.78 TTR (0.59) ESR1DPP4TTRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ESR1 2161/4885DPP4 3254/4885TTR 4021/4885

“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.