SCHEMBL22621036

SCHEMBL22621036

CCCCOC(=O)CCOCCOCCOCCOCCNCc1cccc(C(=O)OCCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ S1PR2 O95136 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ LPAR2 Q9HBW0 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL15888238 0.84 SMN1; SMN2 (0.55) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL14793682 0.83 SMN1; SMN2 (0.48) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL15888179 0.81 SMN1; SMN2 (0.53) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL22621227 0.81 SMN1; SMN2 (0.48) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL22398380 0.78 SLC7A5 (0.49) KDM4ELMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL31865 0.78 SMN1; SMN2 (0.49) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL10706157 0.76 L3MBTL1 (0.57) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL15888240 0.76 NPSR1 (0.52) LMNASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL14007283 0.75 LTA4H (0.46) KDM4ELMNACYP1A2CYP2C19MEN1
SCHEMBL28553022 0.75 SMN1; SMN2 (0.52) KDM4ELMNASMN1; SMN2CYP1A2CYP2C9

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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 — — 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 KDM4E 4002/4885LMNA 1038/4885SMN1; SMN2 3255/4885

“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.

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