SCHEMBL3965845

SCHEMBL3965845

CCOC(=O)CCCCCOc1ccc(Br)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
ACHE P22303 4/20 0.48
BCHE P06276 3/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TNF P01375 4/20 0.46
ALDH1A1 P00352 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL16334606 0.95 FDPS (0.51) FDPSACHEBCHEPDE4APDE4B
SCHEMBL7370670 0.90 PDE4A (0.56) FDPSPDE4APDE4BPDE4CPDE4D
SCHEMBL4344594 0.84 HSD17B2 (0.56) FDPSTHRATHRBTSHRLMNA
SCHEMBL16146944 0.84 PTGDR2 (0.54) ALDH1A1TSHRCYP1A2CYP2C19LMNA
SCHEMBL18554126 0.84 FDPS (0.63) FDPSACHEBCHEALDH1A1TSHR
SCHEMBL16147875 0.82 SMN1; SMN2 (0.45) TNFCYP1A2LMNA
SCHEMBL5106323 0.82 ALDH1A1 (0.65) FDPSALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL3459019 0.82 PTGDR2 (0.56) ALDH1A1TSHRCYP1A2CYP2C19LMNA
SCHEMBL4506605 0.80 CYP4F2 (0.48) TNFALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL24384207 0.79 MEN1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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 5 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
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1802630-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006032893-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-03-30 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA FDPS 1060/4885ACHE 2326/4885BCHE 3174/4885

“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.