SCHEMBL25825968

SCHEMBL25825968

CNCCC(O)c1cccc(OCc2c(C)cccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SLC6A4 P31645 2/20 0.40
OPRK1 P41145 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL4568934 0.79 MAPK1 (0.49) OPRK1MAPK1TSHRNFKB1HIF1A
SCHEMBL29818761 0.79 SMN1; SMN2 (0.43) OPRK1MAPK1TSHRNFKB1HIF1A
SCHEMBL2205552 0.79 SMN1; SMN2 (0.43) OPRK1MAPK1TSHRNFKB1HIF1A
SCHEMBL25825928 0.79 HTR1B (0.47) ALDH1A1LMNAKMT2ASMN1; SMN2DRD3
SCHEMBL3447800 0.77 MAPK1 (0.46) MAPK1TSHRNFKB1HIF1ATP53
SCHEMBL25825938 0.75 SLC22A12 (0.46) MEN1KMT2A
SCHEMBL19291551 0.75 OPRK1 (0.42) OPRK1MAPK1TSHRNFKB1HIF1A
SCHEMBL19291702 0.75 MAPK1 (0.41) MAPK1TSHRNFKB1HIF1ATP53
SCHEMBL22700868 0.75 KDM4E (0.45) MAPK1TSHRNFKB1HIF1ATP53
SCHEMBL19407140 0.75 AOC3 (0.61) SLC6A4

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 HTT 17/4885SLC6A4 1527/4885OPRK1 1524/4885

“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.