SCHEMBL22365151

SCHEMBL22365151

CCCCOCC(O)CNCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.46
CHRM2 P08172 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
CASR P41180 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.43
NAMPT P43490 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
PKM P14618 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL24180426 0.94 ACHE (0.56) ACHEALDH1A1NPSR1TDP1TP53
SCHEMBL16707881 0.88 ACHE (0.52) ACHEALDH1A1NPSR1TDP1TP53
SCHEMBL16724861 0.87 ACHE (0.51) ACHEALDH1A1NPSR1TDP1TP53
SCHEMBL16710541 0.86 ACHE (0.50) ACHEALDH1A1NPSR1CYP1A2CYP2D6
SCHEMBL16724874 0.85 ACHE (0.49) ACHEALDH1A1NPSR1TDP1TP53
SCHEMBL22365152 0.85 CASR (0.47) ALDH1A1POLBTSHRCASRLMNA
SCHEMBL25761328 0.84 CASR (0.49) TSHRCASRLMNAKMT2AMEN1
SCHEMBL18196107 0.82 ALDH1A1 (0.49) ACHEALDH1A1NPSR1TDP1TP53
SCHEMBL9165211 0.80 S1PR2 (0.51) TSHRCASR
SCHEMBL19996556 0.80 ACHE (0.44) ACHEALDH1A1TDP1POLBCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2023-06-08 US disclosed
EP-3288658-B1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORP (US) 2020-08-26 EP 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-20230173406-A1 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY SPECC1L, CCL5, CCR5 ACHE 2972/4885ALDH1A1 3401/4885NPSR1 1628/4885

“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.