SCHEMBL10184908

SCHEMBL10184908

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3cccs3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CHRM1 P11229 2/20 0.51
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL10186411 0.88 ALDH1A1 (0.55) ALDH1A1HTTKDM4ECHRM2CHRM5
SCHEMBL664132 0.86 KDM4E (0.53) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL10186052 0.86 KDM4E (0.53) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL664131 0.86 KDM4E (0.53) ALDH1A1KDM4ECHRM2CHRM5CHRM3
SCHEMBL663186 0.84 POLB (0.49) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL663187 0.84 POLB (0.49) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL10184988 0.84 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL10184903 0.84 NPC1 (0.56) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL10184814 0.84 NPC1 (0.56) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL10184804 0.84 F10 (0.49) ALDH1A1HTTKDM4EMAPTL3MBTL1

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 ALDH1A1 963/4885HTT 922/4885KDM4E 3060/4885

“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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