SCHEMBL6437151

SCHEMBL6437151

COc1ccc(C(O)(c2ccc(CCC34OCC(C)(CO3)CO4)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CALM1 P0DP23 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
F2RL1 P55085 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
FKBP1A P62942 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6438262 0.84 RYR2 (0.39) ALDH1A1MEN1KMT2AHRH3LMNA
SCHEMBL6440113 0.75 ESR1 (0.34)
SCHEMBL6436895 0.71 TAAR1 (0.39) TAAR1SIGMAR1
SCHEMBL13939397 0.71 HRH3 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AHRH3
SCHEMBL812742 0.70 CA1 (0.58) ALDH1A1LMNA
SCHEMBL14790755 0.69 IDO1 (0.45) NPSR1CALM1TAAR1MEN1KMT2A
SCHEMBL29002708 0.68 SMN1; SMN2 (0.48) SMN1; SMN2NPSR1CALM1TAAR1MEN1
SCHEMBL6439322 0.68 FFAR1 (0.66) ALDH1A1F2RL1LMNA
SCHEMBL18027607 0.67 LTA4H (0.50) SMN1; SMN2KMT2ALMNAHTT
SCHEMBL29205 0.67 CA4 (0.54) SMN1; SMN2KMT2ALMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA SMN1; SMN2 3556/4885NPSR1 3011/4885CALM1 3596/4885

“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.