SCHEMBL6438262

SCHEMBL6438262

COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OCCCC34OCC(C)(CO3)CO4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.39
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
AHR P35869 1/20 0.34
DRD3 P35462 1/20 0.34
FDPS P14324 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 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
SCHEMBL13939397 0.87 HRH3 (0.33) HRH3MEN1KMT2AMAPTALDH1A1
SCHEMBL6437151 0.84 SMN1; SMN2 (0.39) HRH3MEN1KMT2AALDH1A1LMNA
SCHEMBL6440164 0.83 AHR (0.32) RYR2AHRDRD3MEN1KMT2A
SCHEMBL6441762 0.77 DRD4 (0.41) DRD3ALDH1A1LMNA
SCHEMBL18302066 0.71 NR5A1 (0.57) MAPTGAALMNA
SCHEMBL3862420 0.70 KIF11 (0.60) AHRDRD3MEN1KMT2AMAPT
SCHEMBL6441253 0.70 MAOB (0.41) DRD3MEN1KMT2AALDH1A1LMNA
SCHEMBL6705352 0.69 LTA4H (0.54) HRH3DRD3ALDH1A1LMNA
SCHEMBL812742 0.69 CA1 (0.58) AHRMAPTALDH1A1LMNA
SCHEMBL6439692 0.69 PDE4B (0.53) MAPTALDH1A1GAA

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 RYR2 3963/4885MTNR1A 3674/4885MTNR1B 3408/4885

“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.