SCHEMBL14969719

SCHEMBL14969719

COC(=O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 4/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
THRB P10828 1/20 0.32
SLC1A1 P43005 1/20 0.32
TET2 Q6N021 1/20 0.31
KDM6B O15054 1/20 0.31

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
SCHEMBL5839487 0.92 TSHR (0.52) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL25444889 0.86 TSHR (0.60) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL10215089 0.85 LMNA (0.40) TSHRALDH1A1KMT2ALMNAHSD17B10
SCHEMBL20429066 0.85 TSHR (0.44) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL14343010 0.84 ALDH1A1 (0.42) TSHRALDH1A1LMNATHRBEGLN1
SCHEMBL15164975 0.84 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL31665495 0.84 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL26689192 0.84 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL26689369 0.84 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL17844866 0.84 TSHR (0.58) TSHRALDH1A1KMT2AMEN1LMNA

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-20130131310-A1 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. 2013-05-23 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-20130131310-A1 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO ALK, ABL1, ERBB3 TSHR 934/4885ALDH1A1 57/4885KMT2A 1816/4885

“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.