SCHEMBL7602709

SCHEMBL7602709

CN(C)CCOc1ccc(CC(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
ESR1 P03372 5/20 0.56
EGFR P00533 3/20 0.56
CYP2D6 P10635 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ESR2 Q92731 2/20 0.56
HTR6 P50406 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
NR1I2 O75469 1/20 0.56
PRKD3 O94806 1/20 0.56
ABCB11 O95342 1/20 0.56
GBA1 P04062 1/20 0.56
NR3C1 P04150 1/20 0.56
ERBB2 P04626 1/20 0.56
TP53 P04637 1/20 0.56
PRKCG P05129 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL7602314 0.94 EGFR (0.63) LTA4HESR1EGFRCYP2D6MAPT
SCHEMBL9360046 0.91 BCHE (0.58) LTA4HEGFRKDM4EBCHEACHE
SCHEMBL11564060 0.87 THRA (0.54) LTA4HESR1EGFRCYP2D6MAPT
SCHEMBL10677214 0.87 ALDH1A1 (0.64) LTA4HESR1MAPTNPC1DRD2
SCHEMBL5725562 0.86 KDM4E (0.57) LTA4HEGFRKDM4EDRD2DRD3
SCHEMBL13305508 0.86 THRA (0.53) LTA4HEGFRKDM4EDRD2DRD3
SCHEMBL5725610 0.86 HRH3 (0.64) LTA4HEGFRMAPTKDM4ENPC1
SCHEMBL9360237 0.85 BCHE (0.61) LTA4HEGFRKDM4EBCHEACHE
SCHEMBL22773277 0.84 ALDH1A1 (0.60) LTA4HESR1EGFRCYP2D6MAPT
SCHEMBL12733015 0.84 L3MBTL1 (0.58) CYP2D6MAPTKDM4EPOLBMEN1

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 1 patent. 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 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 LTA4H 2301/4885ESR1 6/4885EGFR 321/4885

“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.