SCHEMBL5039697

SCHEMBL5039697

COC(=O)CCc1cccc(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.52
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 2/20 0.51
AKR1B1 P15121 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
PTGES O14684 1/20 0.48
AOC3 Q16853 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
LIPG Q9Y5X9 1/20 0.47
CNR2 P34972 1/20 0.47
ICMT O60725 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 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
SCHEMBL9456168 0.98 PTPN1 (0.55) PTPN1SIRT2FFAR1FFAR4AKR1B1
SCHEMBL5033493 0.97 PTPN1 (0.54) PTPN1SIRT2FFAR1FFAR4AKR1B1
SCHEMBL5039715 0.88 PTPN1 (0.55) PTPN1SIRT2FFAR1FFAR4TDP1
SCHEMBL31103174 0.87 CNR2 (0.57) PTPN1SIRT2FFAR1CA12CA7
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.85 TDP1 (0.61) FFAR1TDP1CA12CA7CA9
SCHEMBL3357160 0.84 SLC7A5 (0.56) PTGESAOC3KDM4EALDH1A1LMNA
SCHEMBL1744991 0.84 FFAR1 (0.77) FFAR1FFAR4AKR1B1
SCHEMBL12087466 0.84 FFAR1 (0.49) PTPN1FFAR1FFAR4AKR1B1CNR2
SCHEMBL18562022 0.84 BCL2 (0.56) PTPN1SIRT2FFAR1FFAR4AKR1B1
SCHEMBL480043 0.83 FFAR1 (0.65) PTPN1FFAR1FFAR4TDP1CA12

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 PTPN1 317/4885SIRT2 3095/4885FFAR1 1215/4885

“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.