SCHEMBL7602297

SCHEMBL7602297

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.78
PSMB5 P28074 3/20 0.78
ESR1 P03372 8/20 0.74
ESR2 Q92731 4/20 0.74
PSMB2 P49721 1/20 0.61
LTA4H P09960 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 2/20 0.59
ESRRG P62508 1/20 0.57
KDM4E B2RXH2 1/20 0.57
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE1C Q14123 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
EPHX2 P34913 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL15647618 0.87 PSMB1 (1.00) PSMB1PSMB5ESR1ESR2PSMB2
SCHEMBL7601189 0.86 ESR1 (0.74) PSMB1PSMB5ESR1ESR2PSMB2
SCHEMBL7602292 0.85 PSMB1 (0.59) PSMB1PSMB5ESR1ESR2PSMB2
SCHEMBL8472085 0.81 LTA4H (0.62) PSMB1PSMB5ESR1LTA4HSMN1; SMN2
SCHEMBL8471455 0.81 LTA4H (0.62) PSMB1PSMB5ESR1LTA4HSMN1; SMN2
SCHEMBL13305493 0.81 PSMB1 (0.79) PSMB1PSMB5ESR1ESR2PSMB2
SCHEMBL3366608 0.78 LTA4H (0.78) PSMB1PSMB5ESR1PSMB2LTA4H
SCHEMBL7138464 0.77 LTA4H (1.00) PSMB1PSMB5PSMB2LTA4HNPC1
SCHEMBL1956688 0.77 LTA4H (0.79) LTA4HGAAKDM4ENPC1RAB9A
SCHEMBL7650153 0.76 PSMB1 (1.00) PSMB1PSMB5ESR1ESR2PSMB2

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 PSMB1 1502/4885PSMB5 1283/4885ESR1 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.