SCHEMBL10148464

SCHEMBL10148464

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 16/20 0.51
FAAH O00519 4/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SRD5A2 P31213 1/20 0.44
SRD5A1 P18405 1/20 0.42

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
SCHEMBL10148457 1.00 ALDH1A1 (0.51) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL602162 0.91 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL433358 0.91 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL601086 0.91 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL10148472 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAEPHX2
SCHEMBL10148461 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAEPHX2
SCHEMBL601886 0.81 PARP10 (0.45) ALDH1A1EPHX2FAAH
SCHEMBL601885 0.81 PARP10 (0.45) ALDH1A1EPHX2FAAH
SCHEMBL10186127 0.80 LMNA (0.51) ALDH1A1LMNAEPHX2
SCHEMBL10186405 0.80 LMNA (0.51) ALDH1A1LMNAEPHX2

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 3 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
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 ALDH1A1 963/4885LMNA 2889/4885CASP3 3527/4885

“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.