SCHEMBL10184275

SCHEMBL10184275

COC(=O)C[C@H]1CC[C@H](c2ccc(C(=O)NCCNC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.54
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 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
SCHEMBL10184835 0.92 HPGD (0.44) HPGDLMNAALDH1A1MAPTMAPK14
SCHEMBL10185472 0.88 HPGD (0.51) HPGDPOLBHTTLMNANPC1
SCHEMBL10186109 0.84 HDAC3 (0.47) RAB9AALDH1A1HDAC4HDAC1HDAC7
SCHEMBL10184298 0.83 ALDH1A1 (0.50) LMNAALDH1A1MAPTHDAC1HDAC8
SCHEMBL10184848 0.82 ALDH1A1 (0.47) POLBLMNAALDH1A1MAPTKCNH2
SCHEMBL10186102 0.81 RAB9A (0.54) HPGDPOLBLMNANPC1RAB9A
SCHEMBL10186181 0.80 DGAT1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL14984455 0.79 ALDH1A1 (0.52) LMNAALDH1A1MAPTHDAC1HDAC11
SCHEMBL16527695 0.79 IDO1 (0.54) POLBRAB9AALDH1A1MAPT
SCHEMBL16527696 0.79 IDO1 (0.54) POLBRAB9AALDH1A1MAPT

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — WO 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 HPGD 3492/4885POLB 3114/4885HTT 922/4885

“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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