SCHEMBL3840409

SCHEMBL3840409

COc1ccc2c(c1)S(=O)(=O)C=C2Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
LTA4H P09960 4/20 0.49
ESR1 P03372 3/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL3839239 0.79 LTA4H (0.52) MAOBLTA4HESR1HRH3KCNH2
SCHEMBL14970684 0.74 LTA4H (0.82) LTA4HHRH3POLBMAPT
SCHEMBL15257179 0.74 LTA4H (0.82) LTA4HHRH3POLBMAPT
SCHEMBL15954194 0.74 KDM4E (0.47) MAOBMAPT
SCHEMBL1793689 0.74 HRH3 (0.61) MAOBLTA4HHRH3KCNH2POLB
Hydrochloric Acid SCHEMBL14966283 0.73 LTA4H (0.79) LTA4HHRH3POLBMAPT
SCHEMBL1795485 0.72 HRH3 (0.59) LTA4HHRH3POLB
Hydrochloric Acid SCHEMBL7705077 0.71 ESR1 (0.73) ESR1
SCHEMBL2180695 0.70 EBP (0.60) MAOBLTA4HESR1HRH3EBP
SCHEMBL2179337 0.70 EBP (0.57) MAOBLTA4HESR1HRH3EBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709023-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2009-11-11 EP disclosed
US-20070111988-A1 Selective estrogen receptor modulators ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070066595-A1 Selective estrogen receptor modulators ARRAY BIOPHARMA, INC. 2007-03-22 US disclosed
EP-1709023-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
EP-1709022-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2005073205-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
WO-2005073206-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 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 (2 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-20070111988-A1 Selective estrogen receptor modulators ESR2, GPER1, ESRRA MAOB 2025/4885LTA4H 1532/4885ESR1 5/4885
US-20070066595-A1 Selective estrogen receptor modulators GPER1, ESR2, ESR1 MAOB 2359/4885LTA4H 1471/4885ESR1 3/4885

“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.