SCHEMBL6312899

SCHEMBL6312899

O=C(O)/C=C/c1c(-c2cccc(Br)c2)cc(Sc2cc(-c3cccc(Br)c3)c(/C=C/C(=O)O)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HSD17B3 P37058 1/20 0.33
LMNA P02545 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
RELA Q04206 1/20 0.32
P2RY12 Q9H244 1/20 0.32
NR4A2 P43354 1/20 0.32
ITGB2 P05107 2/20 0.31
ICAM1 P05362 2/20 0.31
ITGAL P20701 2/20 0.31
PTGER1 P34995 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31

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
SCHEMBL6316872 0.80 ITGB2 (0.38) ALDH1A1MAPTKMT2AHCAR2HSD17B3
SCHEMBL6312904 0.71 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6312029 0.70 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL7249342 0.68 PTGER1 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5206465 0.68 PTGER1 (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6195509 0.67 CCNC (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
Bromide SCHEMBL6988733 0.67 PTGER1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
Bromide SCHEMBL6988730 0.67 PTGER1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6199614 0.65 ITGB2 (0.45) ALDH1A1KDM4EKMT2ALMNAITGB2
SCHEMBL7857946 0.65 ITGB2 (0.45) ALDH1A1KDM4EKMT2ALMNAITGB2

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 6 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-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP 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 ALDH1A1 484/4885KDM4E 2941/4885MAPT 3667/4885

“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.