SCHEMBL15722853

SCHEMBL15722853

CC(=O)OC[C@H](C)CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 3/20 0.34
CYP3A4 P08684 3/20 0.34
RECQL P46063 1/20 0.34
PTPN1 P18031 1/20 0.34
TSHR P16473 4/20 0.33
HPGD P15428 1/20 0.33
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 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
SCHEMBL5080054 1.00 TDP1 (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL9756912 0.81 TDP1 (0.48) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL11896458 0.79 LMNA (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL15722839 0.79 LMNA (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL1614306 0.79 ALOX15 (0.58) ALOX15ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL11896459 0.79 LMNA (0.39) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL14232707 0.79 PTPN1 (0.40) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL2160886 0.77 TDP1 (0.38) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL27804721 0.77 TDP1 (0.38) TDP1ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL22689608 0.77 TDP1 (0.45) TDP1ALOX15ALDH1A1LMNAHSD17B10

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-9714271-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CONTRAVIR PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 ACHILLE LIFE SCIENCES LIMITED (GB) 2016-07-21 US disclosed
US-9200038-B2 Cyclosporine analogue molecules modified at amino acid 1 and 3 CICLOFILIN PHARMACEUTICALS CORP. (CA) 2015-12-01 US disclosed
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 ISOTECHNIKA PHARMA INC. (CA) 2014-05-22 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 (2 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-20160207961-A1 Cyclosporine Analogue Molecules Modified At Amino Acid 1 and 3 FKBP1A, CHP1, FKBP3 TDP1 2603/4885ALOX15 3133/4885ALDH1A1 3240/4885
US-20140142033-A1 CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 FKBP1A, CHP1, FKBP3 TDP1 2603/4885ALOX15 3133/4885ALDH1A1 3240/4885

“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.