SCHEMBL7602287

SCHEMBL7602287

CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(OC(C)N(CC)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.46
ESR2 Q92731 2/20 0.41
CYP19A1 P11511 2/20 0.40
ADRA2A P08913 4/20 0.38
KCNH2 Q12809 4/20 0.38
PGR P06401 3/20 0.38
ADRA2B P18089 3/20 0.38
HTR2A P28223 3/20 0.38
HRH1 P35367 1/20 0.38
MAPT P10636 3/20 0.36
CHRM2 P08172 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
CHRM1 P11229 3/20 0.36
PTGS1 P23219 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
DRD3 P35462 3/20 0.36
HTR6 P50406 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL7602301 1.00 ESR1 (0.46) ESR1ESR2CYP19A1ADRA2AKCNH2
SCHEMBL7597047 0.89 ESR1 (0.47) ESR1ESR2CYP19A1ADRA2AKCNH2
SCHEMBL7597060 0.89 ESR1 (0.47) ESR1ESR2CYP19A1ADRA2AKCNH2
SCHEMBL7704155 0.84 ESR1 (0.46) ESR1ESR2OPRD1PSMB1PSMB5
SCHEMBL15570846 0.79 ESR1 (0.56) ESR1ESR2CYP19A1ADRA2AKCNH2
SCHEMBL6032890 0.79 ESR1 (0.56) ESR1ESR2CYP19A1ADRA2AKCNH2
SCHEMBL7597044 0.77 ESR1 (0.56) ESR1ESR2CYP19A1PSMB1PSMB5
SCHEMBL7597037 0.77 ESR1 (0.56) ESR1ESR2CYP19A1PSMB1PSMB5
SCHEMBL7603643 0.76 ESR1 (0.55) ESR1ESR2PSMB1PSMB5
SCHEMBL7603606 0.76 ESR1 (0.55) ESR1ESR2PSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 US claimed
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 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 (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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG ESR1 6/4885ESR2 2/4885CYP19A1 13/4885

“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.