SCHEMBL12107301

SCHEMBL12107301

CC(=O)CCSCCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BHMT Q93088 2/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PAOX Q6QHF9 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL23531362 0.85 ALDH1A1 (0.47) CES2ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL907023 0.83 — —
SCHEMBL3504701 0.83 ALDH1A1 (0.56) CES2ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL25665078 0.82 CES2 (0.63) CES2ALDH1A1HSD17B10TDP1GPR84
SCHEMBL19343370 0.80 CES2 (0.67) CES2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL22046141 0.80 CES2 (0.67) CES2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL11091123 0.80 CES2 (0.67) CES2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL22045705 0.80 CES2 (0.67) CES2ALDH1A1HSD17B10TDP1KMT2A
SCHEMBL23531305 0.80 ALDH1A1 (0.53) CES2ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL9264322 0.77 LMNA (0.64) KDM4ESMN1; SMN2LMNAHSD17B10TDP1

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-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER NEKTAR THERAPEUTICS (US) 2014-02-13 — — US disclosed
US-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-11-03 — — US disclosed
US-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 — — US disclosed
US-20110165113-A1 POLYMER CONJUGATES OF V681-LIKE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 — — 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 (4 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-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NGLY1, VIP, IAPP CES2 4315/4885ALDH1A1 4383/4885KDM4E 4774/4885
US-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF PRKAR2B, PRKAR2A, PRKCH CES2 3112/4885ALDH1A1 4856/4885KDM4E 877/4885
US-20140044672-A1 CONJUGATES OF A GM-CSF MOIETY AND A POLYMER CSF3R, GMFG, CSF1R CES2 1618/4885ALDH1A1 2146/4885KDM4E 4113/4885
US-20110165113-A1 POLYMER CONJUGATES OF V681-LIKE PEPTIDES NGLY1, VIP, DNPEP CES2 4000/4885ALDH1A1 3859/4885KDM4E 4740/4885

“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.

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