SCHEMBL5033496

SCHEMBL5033496

COC(=O)C(C)c1cccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.66
PTGS1 P23219 2/20 0.66
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
KMT2A Q03164 2/20 0.51
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5039701 0.97 PTGS1 (0.66) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL5039720 0.88 PTGS1 (0.62) PTGS2PTGS1KMT2APSEN1PSEN2
SCHEMBL4827831 0.86 PTGS2 (0.67) PTGS2PTGS1KMT2A
SCHEMBL6270908 0.86 HDAC4 (0.51) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL3729385 0.84 PTGS2 (0.58) PTGS2PTGS1KMT2A
SCHEMBL183940 0.82 KMT2A (0.67) PTGS2PTGS1KMT2AMEN1
SCHEMBL5544986 0.82 KMT2A (0.67) PTGS2PTGS1KMT2AMEN1
SCHEMBL5537242 0.82 KMT2A (0.67) PTGS2PTGS1KMT2AMEN1
SCHEMBL10998865 0.82 KMT2A (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL31261540 0.81 PTGS2 (0.69) PTGS2PTGS1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001486-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-17 EP disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
WO-2007109585-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 WO 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-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FDPS, GGPS1, FNTB PTGS2 2039/4885PTGS1 1401/4885RXRA 2268/4885

“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.