SCHEMBL5039720

SCHEMBL5039720

COC(=O)C(C)c1cccc(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.62
PTGS2 P35354 4/20 0.62
KMT2A Q03164 5/20 0.49
PGR P06401 1/20 0.46
PDE4A P27815 1/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
FABP2 P12104 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C4 P17516 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CYP1A2 P05177 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 0.88 PTGS1 (0.66) PTGS1PTGS2KMT2AMEN1LMNA
SCHEMBL5033496 0.88 PTGS2 (0.66) PTGS1PTGS2KMT2AMEN1PSEN1
SCHEMBL183940 0.80 KMT2A (0.67) PTGS1PTGS2KMT2AMEN1LMNA
SCHEMBL5537242 0.80 KMT2A (0.67) PTGS1PTGS2KMT2AMEN1LMNA
SCHEMBL5544986 0.80 KMT2A (0.67) PTGS1PTGS2KMT2AMEN1LMNA
SCHEMBL13448835 0.79 LMNA (0.74) PTGS1PTGS2KMT2APGRPDE4A
SCHEMBL8755392 0.79 LMNA (0.74) PTGS1PTGS2KMT2APGRPDE4A
SCHEMBL1543413 0.79 LMNA (0.74) PTGS1PTGS2KMT2APGRPDE4A
SCHEMBL8755498 0.79 LMNA (0.74) PTGS1PTGS2KMT2APGRPDE4A
SCHEMBL15845833 0.79 PTGS1 (0.52) PTGS1PTGS2KMT2APGRPDE4A

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 PTGS1 1401/4885PTGS2 2039/4885KMT2A 4321/4885

“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.