SCHEMBL7599819

SCHEMBL7599819

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccc(OCCN(CC)CC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 4/20 0.74
SIGMAR1 Q99720 4/20 0.74
ESR1 P03372 14/20 0.67
ESR2 Q92731 8/20 0.67
CYP2D6 P10635 3/20 0.60
HTT P42858 2/20 0.60
CYP1A2 P05177 2/20 0.60
LTA4H P09960 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 4/20 0.60
KCNH2 Q12809 3/20 0.60
CHRM2 P08172 3/20 0.60
ADRA2A P08913 3/20 0.60
ADORA3 P0DMS8 3/20 0.60
CHRM1 P11229 3/20 0.60
PTGS1 P23219 3/20 0.60
SLC6A2 P23975 3/20 0.60
SLC6A4 P31645 3/20 0.60

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
SCHEMBL7599292 1.00 EBP (0.74) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL7801089 0.90 ESR1 (0.67) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL7596148 0.88 ESR1 (0.76) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL7596978 0.88 ESR1 (0.76) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL13461620 0.88 ESR1 (0.76) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL17164687 0.85 ESR1 (0.79) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL17164682 0.85 ESR1 (0.79) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL7602293 0.84 ESR1 (0.65) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL10680278 0.82 CYP2D6 (0.63) EBPSIGMAR1ESR1ESR2CYP2D6
SCHEMBL13305614 0.81 ESR1 (0.66) EBPSIGMAR1ESR1ESR2CYP2D6

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 EBP 70/4885SIGMAR1 348/4885ESR1 6/4885

“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.