SCHEMBL1359438

SCHEMBL1359438

O=C(c1ccc(OCCN2CCCCCC2)cc1)c1c(-c2cc(F)ccc2F)ccc2cc(O)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.63
ESR2 Q92731 20/20 0.63
MEN1 O00255 1/20 0.54
PLD2 O14939 1/20 0.54
KDM1A O60341 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
C5 P01031 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
FYN P06241 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
ADRB3 P13945 1/20 0.54

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
SCHEMBL1359327 1.00 ESR1 (0.63) ESR1ESR2MEN1PLD2KDM1A
Hydrochloric Acid SCHEMBL1359180 0.99 ESR1 (0.63) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL1359708 0.94 ESR1 (0.61) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL1360664 0.94 ESR1 (0.61) ESR1ESR2MEN1PLD2KDM1A
Hydrochloric Acid SCHEMBL1360649 0.93 ESR1 (0.62) ESR1ESR2MEN1PLD2KDM1A
Hydrochloric Acid SCHEMBL1360314 0.93 ESR1 (0.62) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL1358152 0.91 ESR1 (0.62) ESR1ESR2
SCHEMBL1358493 0.91 ESR1 (0.60) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL1360104 0.90 ESR1 (0.55) ESR1ESR2
SCHEMBL1359175 0.90 ESR1 (0.55) ESR1ESR2

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 4 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

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 ESR1 2/4885ESR2 7/4885MEN1 1068/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ESR1 2/4885ESR2 7/4885MEN1 1068/4885

“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.