SCHEMBL10186405

SCHEMBL10186405

CCCCOC(=O)c1ccc(O[C@@H]2CC[C@H](C(=O)OC)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
ESR1 P03372 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
STS P08842 7/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10186127 1.00 LMNA (0.51) LMNACYP1A2TSHRCYP2C19CYP3A4
SCHEMBL10185077 0.80 LMNA (0.58) LMNACYP1A2TSHRCYP2C19CYP3A4
SCHEMBL10148461 0.80 SMN1; SMN2 (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL10148472 0.80 SMN1; SMN2 (0.47) LMNATSHRMAPK1SMN1; SMN2HPGD
SCHEMBL10148464 0.80 ALDH1A1 (0.51) LMNAALDH1A1EPHX2
SCHEMBL10148457 0.80 ALDH1A1 (0.51) LMNAALDH1A1EPHX2
SCHEMBL13117542 0.79 LMNA (0.51) LMNACYP1A2TSHRCYP2C19CYP3A4
SCHEMBL13117639 0.78 LMNA (0.52) LMNACYP1A2TSHRCYP2C19CYP3A4
SCHEMBL4544914 0.77 LMNA (0.59) LMNACYP1A2TSHRCYP2C19CYP3A4
SCHEMBL13478443 0.77 MAPT (0.49) LMNATSHRSMN1; SMN2HPGDRAB9A

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 LMNA 2889/4885CYP1A2 1822/4885TSHR 4189/4885

“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.