SCHEMBL22365152

SCHEMBL22365152

CCCCOCC(O)CNCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
USP2 O75604 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
SCHEMBL20224963 0.87 TSHR (0.41) CASRTSHRLMNANPC1HTT
SCHEMBL16707862 0.87 TSHR (0.44) CASRTSHRLMNASMN1; SMN2NPC1
SCHEMBL25761328 0.86 CASR (0.49) CASRTSHRLMNAS1PR2S1PR4
SCHEMBL22365151 0.85 ACHE (0.53) CASRTSHRLMNAALDH1A1MEN1
SCHEMBL16710538 0.85 TSHR (0.45) CASRTSHRNPC1ALDH1A1MEN1
SCHEMBL16724859 0.84 TSHR (0.42) CASRTSHRNPC1ALDH1A1HTT
SCHEMBL2895685 0.83 TSHR (0.45) TSHRNPC1ALDH1A1KDM4EADRB2
SCHEMBL2895680 0.83 TSHR (0.45) TSHRNPC1ALDH1A1KDM4EADRB2
SCHEMBL9165211 0.81 S1PR2 (0.51) CASRTSHRS1PR2S1PR4S1PR1
SCHEMBL25761414 0.80 GAA (0.40) LMNASMN1; SMN2ALDH1A1HTTKDM4E

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 CASR 4091/4885TSHR 4745/4885LMNA 1219/4885

“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.