SCHEMBL15033738

SCHEMBL15033738

CC(C)[Si](Oc1ccc(CC(=O)O)cc1)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
SRD5A2 P31213 2/20 0.45
AKR1B1 P15121 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PLA2G4B P0C869 1/20 0.42
PPARD Q03181 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL2101723 0.86 POLB (0.62) POLBALDH1A1HTT
SCHEMBL15033791 0.85 POLB (0.44) POLBALDH1A1HTT
SCHEMBL112628 0.83 CYP4F2 (0.51) POLBALDH1A1LMNAGAAHTT
SCHEMBL6784674 0.83 PLAU (0.48) SRD5A2ALDH1A1LMNAGAATSHR
SCHEMBL23501260 0.83 CA2 (0.50) POLBKDM4EPTGS1AKR1C3AKR1C2
SCHEMBL28900970 0.81 PPARG (0.44) KDM4EPTGS1AKR1C3AKR1C2ALDH1A1
SCHEMBL2103554 0.80 STS (0.54) SRD5A2TSHR
SCHEMBL113355 0.79 ALDH1A1 (0.62) ALDH1A1TSHRLTB4RLTB4R2
SCHEMBL6780164 0.79 NPC1 (0.56) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL6178682 0.79 CPA1 (0.55) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS POLB 2750/4885KDM4E 2945/4885PTGS1 18/4885

“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.