SCHEMBL6440164

SCHEMBL6440164

COc1ccc(C(O)(c2ccc(OCCCC34OCC(C)(CO3)CO4)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
CYP19A1 P11511 3/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
RYR2 Q92736 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6440165 0.89 MTNR1A (0.31)
SCHEMBL6438262 0.83 RYR2 (0.39) AHRMAPTMEN1KMT2ARYR2
SCHEMBL6438585 0.74 AHR (0.41) AHRCYP19A1MAPT
SCHEMBL13939409 0.73 L3MBTL1 (0.35) MAPTALOX12MEN1KMT2AHEXA
SCHEMBL13939592 0.72 AHR (0.40) AHRCYP19A1MAPTMEN1KMT2A
SCHEMBL13939397 0.72 HRH3 (0.33) MAPTMEN1KMT2A
SCHEMBL6439091 0.72 SLC2A1 (0.43) AHRCYP19A1MAPTMEN1KMT2A
SCHEMBL13940042 0.69 ACHE (0.44) AHRCYP19A1MAPT
SCHEMBL6437151 0.69 SMN1; SMN2 (0.39) MEN1KMT2A
SCHEMBL2842324 0.66 ALDH1A1 (0.41) AHRMAPTMEN1KMT2A

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 AHR 3933/4885CYP19A1 2682/4885MAPT 2875/4885

“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.