SCHEMBL57135

SCHEMBL57135

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
BTN3A1 O00481 1/20 0.36
ATM Q13315 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ELANE P08246 2/20 0.35
PRTN3 P24158 1/20 0.35

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
SCHEMBL57115 0.92 ATM (0.39) ALDH1A1KMT2ARAB9AGAABTN3A1
SCHEMBL56408 0.91 BTN3A1 (0.37) MAPTHPGDLMNAKMT2AGAA
SCHEMBL56466 0.90 TP53 (0.41) MAPTKMT2ABTN3A1ELANEPRTN3
SCHEMBL56935 0.88 ALDH1A1 (0.41) MAPTALDH1A1BTN3A1SMN1; SMN2ELANE
SCHEMBL56614 0.88 MAOB (0.37) MAPTHPGDKMT2ATDP1BTN3A1
SCHEMBL56920 0.88 MMP2 (0.37) BTN3A1ELANEPRTN3TSHR
SCHEMBL56739 0.87 GAA (0.38) MAPTALDH1A1KMT2ATDP1RAB9A
SCHEMBL56758 0.84 ALDH1A1 (0.39) MAPTALDH1A1KMT2ATDP1RAB9A
SCHEMBL57805 0.84 KYNU (0.35) ALDH1A1ELANEPRTN3
SCHEMBL57868 0.83 L3MBTL1 (0.37) ALDH1A1RAB9ABTN3A1ELANEPRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 MAPT 4437/4885ALDH1A1 1716/4885HPGD 270/4885

“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.