SCHEMBL1360086

SCHEMBL1360086

O=Cc1ccc(Oc2c(-c3ccc(F)cc3)ccc3cc(OCc4ccccc4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 3/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
RAB9A P51151 1/20 0.45
P2RY14 Q15391 1/20 0.43
ALOX5 P09917 1/20 0.42
GSTP1 P09211 1/20 0.42
BACE1 P56817 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
TOP1 P11387 1/20 0.40
PPARG P37231 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL1358547 0.88 ESR1 (0.56) MAOBESR1ESR2RAB9AP2RY14
SCHEMBL7191254 0.82 ESR1 (0.44) MAOBMAOAESR1ESR2GSTP1
SCHEMBL7189512 0.81 ESR1 (0.42) ESR1ESR2RAB9A
SCHEMBL1359920 0.80 P2RY14 (0.45) MAOBMAOAP2RY14ALOX5GSTP1
SCHEMBL1358274 0.79 ESR1 (0.76) ESR1ESR2
SCHEMBL1359938 0.79 ESR1 (0.76) ESR1ESR2
SCHEMBL1359809 0.77 ALOX5 (0.51) MAOBP2RY14ALOX5GSTP1ANO1
SCHEMBL4966110 0.77 MGAM (0.53) MAOBESR1ESR2P2RY14ALOX5
SCHEMBL30070037 0.76 ESR1 (0.51) MAOBESR1ESR2P2RY14ALOX5
SCHEMBL27172865 0.76 ESR1 (0.51) MAOBESR1ESR2P2RY14ALOX5

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-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
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 MAOB 636/4885MAOA 447/4885ESR1 2/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 MAOB 636/4885MAOA 447/4885ESR1 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.