SCHEMBL7602292

SCHEMBL7602292

CCC(=C(Cc1ccccc1)c1ccccc1)c1ccccc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.59
ESR1 P03372 3/20 0.59
PSMB5 P28074 3/20 0.59
ESR2 Q92731 2/20 0.59
DRD1 P21728 2/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
ABCB1 P08183 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.47
PSMB2 P49721 1/20 0.46

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
SCHEMBL7602297 0.85 PSMB1 (0.78) PSMB1ESR1PSMB5ESR2KDM4E
SCHEMBL7602302 0.80 ESR1 (0.52) PSMB1ESR1PSMB5ESR2ABCB1
SCHEMBL7602288 0.80 ESR1 (0.52) PSMB1ESR1PSMB5ESR2ABCB1
SCHEMBL6042440 0.75 POLB (0.68) DRD1DRD4DRD5ABCB1KDM4E
SCHEMBL6044278 0.75 MEN1 (0.72) DRD1DRD4DRD5ABCB1KDM4E
SCHEMBL16676773 0.74 ABCB1 (0.66) DRD1DRD4DRD5ABCB1KDM4E
SCHEMBL15647618 0.74 PSMB1 (1.00) PSMB1ESR1PSMB5ESR2ALDH1A1
SCHEMBL29508119 0.74 DRD2 (0.69) DRD1ABCB1KDM4EALDH1A1POLB
SCHEMBL29508063 0.74 ABCB1 (0.67) ABCB1KDM4EALDH1A1POLBRAB9A
SCHEMBL7601189 0.73 ESR1 (0.74) PSMB1ESR1PSMB5ESR2KDM4E

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 1502/4885ESR1 6/4885PSMB5 1283/4885

“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.