SCHEMBL10148429

SCHEMBL10148429

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc3cc(C(C)=O)ccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10148426 0.90 POLB (0.49) POLBNPC1RAB9AMAOAMAOB
SCHEMBL10184995 0.85 LMNA (0.46) POLBNPC1RAB9AMAOAMAOB
SCHEMBL17053655 0.81 HRH3 (0.55) NPC1RAB9AHRH3PARP10KDM4E
SCHEMBL20325744 0.81 HRH3 (0.53) NPC1RAB9AMAOAMAOBHRH3
SCHEMBL241349 0.80 POLB (0.57) POLBTSHRMAPTHPGDALDH1A1
SCHEMBL664676 0.80 POLB (0.57) POLBTSHRMAPTHPGDALDH1A1
SCHEMBL10147939 0.80 POLB (0.57) POLBTSHRMAPTHPGDALDH1A1
SCHEMBL10148163 0.80 ALDH1A1 (0.48) POLBMAOAMAOBMAPTHPGD
SCHEMBL10148311 0.79 NPC1 (0.46) POLBNPC1MAOAMAOBHRH3
SCHEMBL10148171 0.79 ALDH1A1 (0.45) POLBNPC1RAB9AMAOAMAOB

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 POLB 3114/4885NPC1 201/4885RAB9A 1660/4885

“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.