SCHEMBL25825453

SCHEMBL25825453

N=C1c2ccccc2C(=O)N1CCCc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR84 Q9NQS5 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
POLB P06746 1/20 0.46
HTR7 P34969 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALDH2 P05091 1/20 0.44
PKM P14618 1/20 0.44
ALDH3A1 P30838 1/20 0.44
CYP1B1 Q16678 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MGLL Q99685 1/20 0.41

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
SCHEMBL2207464 0.90 TDP1 (0.60) NR1H3TDP1L3MBTL1GPR84OPRM1
SCHEMBL15956399 0.86 TDP1 (0.68) NR1H3TDP1L3MBTL1GPR84OPRM1
SCHEMBL7886506 0.82 NR1H3 (0.62) NR1H3TDP1L3MBTL1GPR84OPRM1
SCHEMBL5158373 0.75 KDM4E (0.54) TDP1L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL15955998 0.75 TDP1 (0.67) TDP1L3MBTL1GPR84POLBCYP1B1
SCHEMBL14092273 0.74 TDP1 (0.66) NR1H3TDP1L3MBTL1GPR84ALDH1A1
SCHEMBL2157305 0.73 TDP1 (0.60) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL10352124 0.73 TDP1 (0.60) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL14044517 0.73 TDP1 (0.60) TDP1L3MBTL1ALDH1A1ALDH2PKM
SCHEMBL2754682 0.73 CYP1B1 (0.61) TDP1L3MBTL1ALDH1A1ALDH2PKM

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 NR1H3 121/4885TDP1 529/4885L3MBTL1 2438/4885

“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.