SCHEMBL25825938

SCHEMBL25825938

CNCCCc1cccc(OCc2c(C)cccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
BCHE P06276 3/20 0.44
NOS1 P29475 2/20 0.42
NOS2 P35228 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
NOS3 P29474 1/20 0.39
ACHE P22303 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL25823626 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3BCHENOS1
SCHEMBL25825928 0.82 HTR1B (0.47) SLC22A12KMT2A
SCHEMBL11464993 0.79 BCHE (0.68) CHRM2CHRM1CHRM3BCHENOS1
SCHEMBL4568933 0.78 PPARA (0.50) SLC22A12BCHENR1H4CYP4F2CYP4A11
SCHEMBL4568940 0.76 SLC22A12 (0.57) SLC22A12BCHECYP4F2CYP4A11
SCHEMBL14855263 0.76 CHRM2 (0.57) CHRM2CHRM1CHRM3BCHEMEN1
SCHEMBL25823623 0.75 BCHE (0.42) BCHEMTNR1AMTNR1B
SCHEMBL25825968 0.75 HTT (0.41) MEN1KMT2A
SCHEMBL955739 0.75 SLC22A12 (0.57) SLC22A12NR1H4
SCHEMBL2204716 0.75 SLC22A12 (0.56) SLC22A12BCHENOS1NOS2TAAR1

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 SLC22A12 753/4885CHRM2 2420/4885CHRM1 3108/4885

“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.