SCHEMBL1358262

SCHEMBL1358262

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(OS(=O)(=O)C(F)(F)F)ccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
LTA4H P09960 2/20 0.49
ESR1 P03372 7/20 0.49
ESR2 Q92731 7/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KCNH2 Q12809 2/20 0.48
MCHR1 Q99705 2/20 0.48
KDM4E B2RXH2 3/20 0.48
EGFR P00533 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPY1R P25929 1/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL10306734 0.90 ENPP3 (0.50) LTA4HESR1ESR2SMN1; SMN2KCNH2
SCHEMBL1359614 0.89 ESR1 (0.55) HTTESR1ESR2KCNH2ALDH1A1
SCHEMBL1358420 0.89 ESR1 (0.54) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL1358193 0.89 ESR1 (0.54) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL1358542 0.88 ENPP3 (0.51) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL10306634 0.87 ESR1 (0.52) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL3115415 0.86 LTA4H (0.52) HTTLTA4HESR1ESR2NPC1
SCHEMBL1357972 0.82 HTT (0.56) HTTLTA4HESR1ESR2NPC1
SCHEMBL1360621 0.80 HTT (0.53) HTTLTA4HESR1ESR2NPC1
SCHEMBL5421491 0.79 HTT (0.52) HTTLTA4HESR1ESR2NPC1

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
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 EP disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS 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-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 HTT 4627/4885LTA4H 811/4885ESR1 2/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 HTT 4627/4885LTA4H 811/4885ESR1 2/4885

“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.