SCHEMBL7110262

SCHEMBL7110262

Cc1ccccc1C1=C(C(O)c2ccc(OCCN3CCCCC3)cc2)c2ccccc2CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
PSMB1 P20618 7/20 0.49
PSMB5 P28074 7/20 0.49
MCHR1 Q99705 1/20 0.46
PSMB2 P49721 5/20 0.46
HRH3 Q9Y5N1 3/20 0.45
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ESR1 P03372 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL9055095 0.87 LTA4H (0.56) LTA4HPSMB1PSMB5MCHR1PSMB2
SCHEMBL7529231 0.87 EBP (0.57) LTA4HPSMB1PSMB5MCHR1PSMB2
SCHEMBL3861283 0.85 EBP (0.58) LTA4HPSMB1PSMB5MCHR1HRH3
SCHEMBL7110375 0.83 EBP (0.56) LTA4HPSMB1PSMB5MCHR1HRH3
SCHEMBL7113155 0.83 LTA4H (0.53) LTA4HMCHR1EBPSIGMAR1ESR1
SCHEMBL8605470 0.82 EBP (0.49) LTA4HMCHR1HRH3EBPSIGMAR1
SCHEMBL7110875 0.82 EBP (0.58) LTA4HPSMB1PSMB5MCHR1HRH3
SCHEMBL7106662 0.81 ESR1 (0.44) LTA4HPSMB1PSMB5MCHR1PSMB2
SCHEMBL7111804 0.80 EBP (0.54) LTA4HPSMB1PSMB5MCHR1HRH3
SCHEMBL7106664 0.79 LTA4H (0.41) LTA4HPSMB1PSMB5MCHR1HRH3

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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS NDC1, SQLE, NQO1 LTA4H 418/4885PSMB1 3230/4885PSMB5 2577/4885

“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.