SCHEMBL3944580

SCHEMBL3944580

O=C(O)/C=C/C=C(/c1ccc(C(F)(F)F)cc1)c1cccc(OC2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.40
ICAM1 P05362 5/20 0.40
ITGAL P20701 5/20 0.40
GPER1 Q99527 1/20 0.38
HRH1 P35367 1/20 0.37
EPHX2 P34913 7/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
TEAD1 P28347 1/20 0.36

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
SCHEMBL3944583 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALGPER1HRH1
SCHEMBL3944588 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALGPER1HRH1
SCHEMBL3946995 0.90 EPHX2 (0.44) GPER1EPHX2TEAD1
SCHEMBL3946999 0.90 EPHX2 (0.44) GPER1EPHX2TEAD1
SCHEMBL3946996 0.90 EPHX2 (0.44) GPER1EPHX2TEAD1
SCHEMBL3938107 0.86 SLC2A1 (0.41) ITGB2ICAM1ITGALEPHX2
SCHEMBL3938104 0.86 SLC2A1 (0.41) ITGB2ICAM1ITGALEPHX2
SCHEMBL3938099 0.86 SLC2A1 (0.41) ITGB2ICAM1ITGALEPHX2
SCHEMBL3948188 0.82 EPHX2 (0.51) EPHX2TEAD1
SCHEMBL3948185 0.82 EPHX2 (0.51) EPHX2TEAD1

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 ITGB2 3540/4885ICAM1 4862/4885ITGAL 2896/4885

“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.