SCHEMBL10148414

SCHEMBL10148414

O=C(O)c1ccc2ccc(C3CC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ENPP2 Q13822 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP26A1 O43174 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTPN1 P18031 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL264275 0.95 KMO (0.53) KMOMRGPRX4ACMSDKDM4EALDH1A1
SCHEMBL1285399 0.83 QDPR (0.50) KMOKDM4EALDH1A1HPGDENPP2
SCHEMBL28025 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL29406959 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL19554321 0.79 ABL1 (0.40) KMOMRGPRX4ACMSDHDAC8HDAC6
SCHEMBL901207 0.78 TSHR (0.57) KMOMRGPRX4ALDH1A1HDAC8HDAC6
SCHEMBL2321634 0.78 TSHR (0.57) KMOMRGPRX4ALDH1A1HDAC8HDAC6
SCHEMBL901209 0.78 TSHR (0.57) KMOMRGPRX4ALDH1A1HDAC8HDAC6
SCHEMBL8736492 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDENPP2HSD17B10
Terephthalic Acid SCHEMBL8964865 0.78 TSHR (0.63) KDM4EALDH1A1HPGDENPP2HSD17B10

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 KMO 2307/4885MRGPRX4 1697/4885ACMSD 1165/4885

“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.