SCHEMBL18271973

SCHEMBL18271973

C=CCOCC(C)OC(=O)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 4/20 0.36
CA9 Q16790 1/20 0.34
PLA2G2C Q5R387 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17750135 0.88 TSHR (0.58) TSHRALDH1A1LMNAMAPTMAPK1
SCHEMBL460712 0.86 TDP1 (0.39) TSHRTDP1CA1CA2CA7
SCHEMBL7038035 0.80 ALDH1A1 (0.43) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL8990266 0.80 TDP1 (0.37) TSHRTDP1CA1CA2CA7
SCHEMBL12354752 0.80 TSHR (0.39) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL4996009 0.79 LMNA (0.44) TSHRALDH1A1LMNAMAPTMAPK1
SCHEMBL28755894 0.79 ALDH1A1 (0.41) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL243615 0.79 TSHR (0.42) TSHRTDP1CA1CA2CA7
SCHEMBL12927825 0.79 TDP1 (0.48) TDP1ALDH1A1LMNAMAPTMAPK1
SCHEMBL7083659 0.79 CA1 (0.41) TSHRTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 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-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA TSHR 4685/4885TDP1 2320/4885CA1 3955/4885

“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.