SCHEMBL13857134

SCHEMBL13857134

COC(=O)c1ccccc1OC(=O)CCc1cc2ccccc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 2/20 0.57
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
ADAM17 P78536 2/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL5294261 0.84 ADAM17 (0.69) ATMALDH1A1KDM4EHPGDMMP2
SCHEMBL6436076 0.75 SLC6A3 (0.65) ATMALDH1A1KDM4EHPGDKMT2A
SCHEMBL13857135 0.74 ADAM17 (0.70) ALDH1A1KDM4EHPGDMMP2MMP9
SCHEMBL76086 0.74 KDM4E (1.00) ATMALDH1A1KDM4EHPGDKMT2A
SCHEMBL28044570 0.73 NPC1 (0.64) ATMALDH1A1KDM4EHPGDMMP2
SCHEMBL7537576 0.73 MMP2 (0.72) ALDH1A1KDM4EHPGDMMP2MMP9
SCHEMBL8582948 0.73 SLC6A3 (0.61) ATMALDH1A1KDM4EHPGDKMT2A
SCHEMBL4182762 0.73 SLC6A3 (0.61) ATMALDH1A1KDM4EHPGDKMT2A
SCHEMBL8498857 0.71 SLC6A3 (0.59) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7209919 0.71 SLC6A3 (0.59) ATMALDH1A1KDM4EHPGDKMT2A

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
US-20090124688-A1 Prostaglandin reductase inhibitors ABGENOMICS CORPORATION (TW) 2009-05-14 US disclosed
US-20090124688-A1 Prostaglandin reductase inhibitors ABGENOMICS CORPORATION (TW) 2009-05-14 US disclosed
WO-2007082178-A2 PROSTAGLANDIN REDUCTASE INHIBITORS ABGENOMICS CORPORATION (TW) 2007-07-19 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-20090124688-A1 Prostaglandin reductase inhibitors PTGIR, PTGDR, PTGDR2 ATM 4175/4885ALDH1A1 560/4885KDM4E 2123/4885

“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.