SCHEMBL18756738

SCHEMBL18756738

O=C(NCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LGALS8 O00214 1/20 0.48
▸ TGM2 P21980 1/20 0.46
▸ SYNJ2 O15056 2/20 0.45
▸ MGMT P16455 1/20 0.45

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
SCHEMBL8985399 0.96 TGM2 (0.49) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL28333071 0.94 LMNA (0.54) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL12094113 0.90 LGALS3 (0.54) HTTMAOBLGALS8TGM2
SCHEMBL19036050 0.90 LGALS3 (0.54) HTTMAOBLGALS8TGM2
SCHEMBL12094119 0.90 LGALS3 (0.54) HTTMAOBLGALS8TGM2
SCHEMBL30891325 0.89 HTT (0.46) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL30391620 0.89 HTT (0.46) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL30891388 0.89 TGM2 (0.44) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL30891438 0.87 HTT (0.43) HTTMAOBLMNASMN1; SMN2LGALS8
SCHEMBL24699869 0.87 MAPK1 (0.57) LGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 — — US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 — — US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 — — US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 — — US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 — — US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 — — 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 (4 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 HTT 1050/4885MAOB 645/4885LMNA 742/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 HTT 1050/4885MAOB 645/4885LMNA 742/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 HTT 1050/4885MAOB 645/4885LMNA 742/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 HTT 1050/4885MAOB 645/4885LMNA 742/4885

“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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