SCHEMBL966228

SCHEMBL966228

O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc(C(=O)c2cc(O)no2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.66
UGT1A1 P22309 1/20 0.66
UGT1A3 P35503 1/20 0.66
UGT1A8 Q9HAW9 1/20 0.66
FFAR1 O14842 6/20 0.42
FOS P01100 2/20 0.40
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
RXRG P48443 4/20 0.34
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CTSD P07339 1/20 0.32

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
SCHEMBL669409 0.91 JUN (0.65) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL668045 0.88 JUN (0.72) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2916013 0.85 JUN (0.71) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL305411 0.85 JUN (0.75) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2956891 0.83 JUN (0.67) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2960312 0.83 JUN (0.55) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2963281 0.83 JUN (0.68) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2963278 0.83 JUN (0.68) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2960667 0.83 JUN (0.68) JUNUGT1A1UGT1A3UGT1A8FFAR1
SCHEMBL2960859 0.82 JUN (0.69) JUNUGT1A1UGT1A3UGT1A8FFAR1

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-20110020366-A1 USE OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND TNF ALPHA INHIBITOR IN COMBINATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE OR SALT THEREOF AND THE INHIBITOR TOYAMA CHEMICAL CO., LTD. (JP) 2011-01-27 US claimed

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-20110020366-A1 USE OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND TNF ALPHA INHIBITOR IN COMBINATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE OR SALT THEREOF AND THE INHIBITOR TNF, NFKBIA, CHUK JUN 1774/4885UGT1A1 2605/4885UGT1A3 3335/4885

“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.