SCHEMBL7602283

SCHEMBL7602283

CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(NCCN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.43
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 5/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CNR1 P21554 2/20 0.40
DRD4 P21917 2/20 0.40
HRH2 P25021 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2B P41595 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
PGR P06401 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL7602289 1.00 ESR1 (0.43) ESR1CYP19A1ESR2MAPTCYP1A2
SCHEMBL7598076 0.85 ESR1 (0.43) ESR1CYP19A1ESR2RAB9AMEN1
SCHEMBL7598079 0.85 ESR1 (0.43) ESR1CYP19A1ESR2RAB9AMEN1
SCHEMBL7603604 0.83 ESR1 (0.41) ESR1CYP19A1MAPTESRRGGAA
SCHEMBL7603602 0.83 ESR1 (0.41) ESR1CYP19A1MAPTESRRGGAA
SCHEMBL7599310 0.82 ESR1 (0.44) ESR1CYP19A1RAB9AMEN1CYP3A4
SCHEMBL7598327 0.82 ESR1 (0.44) ESR1CYP19A1RAB9AMEN1CYP3A4
SCHEMBL7599046 0.81 ESR1 (0.43) ESR1CYP19A1RAB9ANPC1LMNA
SCHEMBL7599042 0.81 ESR1 (0.43) ESR1CYP19A1RAB9ANPC1LMNA
SCHEMBL7597702 0.80 ESR1 (0.43) ESR1CYP19A1RAB9AMEN1CYP3A4

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 6/4885CYP19A1 13/4885ESR2 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.