SCHEMBL14793113

SCHEMBL14793113

CCNCCCOCCOCCOCCCNC(=O)COCC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CES2 O00748 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ FAAH O00519 1/20 0.40
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SAT1 P21673 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 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
SCHEMBL24210247 0.95 TSHR (0.40) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL16182412 0.88 TSHR (0.56) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL13034763 0.84 TSHR (0.43) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL12733561 0.84 CES2 (0.51) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL14793133 0.84 CES2 (0.40) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL24393837 0.84 CES2 (0.40) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL25661907 0.84 GLP1R (0.41) TSHRRECQLCES2FAAHSMN1; SMN2
SCHEMBL20341346 0.83 TSHR (0.42) TSHRRECQLCES2ALDH1A1FAAH
SCHEMBL15445099 0.81 TSHR (0.46) TSHRRECQLALDH1A1FAAHCASP1
SCHEMBL22764284 0.81 TSHR (0.40) TSHRRECQLCES2ALDH1A1FAAH

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-20130071383-A1 SELECTIVE MODIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2013-03-21 — — 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-20130071383-A1 SELECTIVE MODIFICATION OF PROTEINS CD2BP2, CCL2, SDF4 TSHR 2798/4885RECQL 4255/4885CES2 3892/4885

“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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