SCHEMBL7603635

SCHEMBL7603635

CCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.88
PSMB1 P20618 11/20 0.76
PSMB5 P28074 9/20 0.76
PSMB2 P49721 4/20 0.76
ESR2 Q92731 2/20 0.66
PDE1A P54750 2/20 0.66
PDE1B Q01064 2/20 0.66
PDE1C Q14123 2/20 0.66
LTA4H P09960 1/20 0.59

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
SCHEMBL7597039 0.99 ESR1 (0.89) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7598249 0.93 ESR1 (1.00) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7598246 0.93 ESR1 (1.00) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL23266951 0.91 PSMB1 (0.87) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7601189 0.89 ESR1 (0.74) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7704152 0.89 ESR1 (0.70) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL23266946 0.85 PSMB1 (0.97) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7650153 0.84 PSMB1 (1.00) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL7650156 0.84 PSMB1 (1.00) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL30902018 0.84 PSMB1 (1.00) ESR1PSMB1PSMB5PSMB2ESR2

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 6/4885PSMB1 1502/4885PSMB5 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.