SCHEMBL6718970

SCHEMBL6718970

O=C(O)Cc1cccc(-c2ccc(CC=NOCc3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
RXRB P28702 6/20 0.46
RXRG P48443 6/20 0.46
AGXT P21549 1/20 0.46
SLC13A5 Q86YT5 1/20 0.45
PTPN1 P18031 1/20 0.45
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARD Q03181 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
NR4A2 P43354 2/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL6718854 0.93 AGXT (0.49) RXRANR1H2NR1H3RXRBRXRG
SCHEMBL6717904 0.87 ENPP2 (0.50) AGXTPTPN1FFAR1FFAR4PPARD
SCHEMBL6719678 0.86 NR1H2 (0.45) RXRANR1H2NR1H3RXRBRXRG
SCHEMBL6717797 0.85 HCAR2 (0.42) RXRARXRBRXRGAGXTFFAR1
SCHEMBL6719809 0.83 FFAR1 (0.43) AGXTPTPN1FFAR1FFAR4NR4A2
SCHEMBL3416605 0.80 S1PR1 (0.53) RXRANR1H2NR1H3RXRBRXRG
SCHEMBL3416601 0.80 S1PR1 (0.53) RXRANR1H2NR1H3RXRBRXRG
SCHEMBL13460803 0.79 NR4A2 (0.66) RXRANR1H2NR1H3FFAR1FFAR4
SCHEMBL4726499 0.79 PSEN1 (0.46) RXRARXRBRXRGPPARDPSEN1
SCHEMBL23296145 0.77 RXRA (0.58) RXRANR1H2NR1H3RXRBRXRG

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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR RXRA 31/4885NR1H2 17/4885NR1H3 15/4885

“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.