SCHEMBL5056587

SCHEMBL5056587

CCCCOc1c(CO)n(C)c(C)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
THRA P10827 4/20 0.35
THRB P10828 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
PDE4B Q07343 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5059815 0.85 TYR (0.40) TYRTHRATHRBHRH3ALDH1A1
SCHEMBL15492944 0.77 MAPK1 (0.44) ALDH1A1NPSR1MAPTKMT2AHPGD
SCHEMBL5056590 0.73 HPGD (0.39) THRBALDH1A1KDM4ENPSR1MAPT
SCHEMBL5236317 0.72 THRB (0.35) THRATHRBALDH1A1KDM4ENPSR1
SCHEMBL5055747 0.72 KDM4E (0.40) THRATHRBALDH1A1KDM4ENPSR1
SCHEMBL5235448 0.70 DPP4 (0.44) ALDH1A1L3MBTL1
SCHEMBL16350295 0.67 CYP3A4 (0.36) THRATHRBALDH1A1MAPTLMNA
SCHEMBL15604205 0.66 PGR (0.41) THRATHRBHRH3ALDH1A1KDM4E
SCHEMBL5239820 0.64 CASR (0.36) THRATHRBALDH1A1KDM4ENPSR1
SCHEMBL9915359 0.64 COMT (0.40) TYRALDH1A1MAPTPDE4BMEN1

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
EP-2637705-B1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING S COLLEGE LONDON (GB) 2017-03-29 EP disclosed
US-9138495-B2 Conjugates and their uses in molecular imaging KING'S COLLEGE LONDON (GB) 2015-09-22 US disclosed
US-20140056810-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING'S COLLEGE LONDON (GB) 2014-02-27 US disclosed
WO-2012063028-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING'S COLLEGE LONDON (GB) 2012-05-18 WO 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-20140056810-A1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING PAICS, FOLH1, DSTYK TYR 3833/4885THRA 2044/4885THRB 1319/4885

“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.