SCHEMBL25823674

SCHEMBL25823674

NCCC#Cc1cccc(NCC2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.38
EPHX1 P07099 2/20 0.36
EPHX2 P34913 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
PTPN1 P18031 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AOC1 P19801 1/20 0.34
AOC3 Q16853 1/20 0.34
APP P05067 1/20 0.34
ITK Q08881 1/20 0.34

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
SCHEMBL3130734 0.90 TSHR (0.41) TSHRKMT2AEPHX1EPHX2HAO1
SCHEMBL15576247 0.84 TSHR (0.41) TSHRKMT2AEPHX1EPHX2HAO1
SCHEMBL2208539 0.74 CHRNB4 (0.48)
SCHEMBL21799837 0.74 APP (0.44) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL29922690 0.74 APP (0.44) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL13379511 0.74 DDB1 (0.43) EPHX1EPHX2PTPN1RXFP1AOC1
SCHEMBL2151303 0.73 MEN1 (0.47) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL12204104 0.73 MEN1 (0.44) KMT2AEPHX1EPHX2PTPN1RXFP1
SCHEMBL2150885 0.72 HTR6 (0.45) EPHX1EPHX2PTPN1RXFP1AOC1
SCHEMBL3128015 0.72 ALDH1A1 (0.43) KMT2AEPHX1EPHX2PTPN1RXFP1

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2971/4885KMT2A 3008/4885EPHX1 1150/4885

“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.