SCHEMBL10148390

SCHEMBL10148390

O=C(O)c1ccc(C2CC2)c(C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.56
RARB P10826 1/20 0.56
CREBBP Q92793 1/20 0.50
KMO O15229 1/20 0.49
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL1422581 0.92 RARG (0.66) RARGRARBCREBBPKMOCHRNA1
SCHEMBL1782039 0.92 RARG (0.66) RARGRARBCREBBPKMOCHRNA1
SCHEMBL1782019 0.92 RARG (0.66) RARGRARBCREBBPKMOCHRNA1
SCHEMBL28170365 0.84 KDM4E (0.46) RARGRARBCREBBPKMOTSHR
SCHEMBL29154739 0.84 KDM4E (0.46) RARGRARBCREBBPKMOTSHR
SCHEMBL14273030 0.84 CA12 (0.55) RARGRARBCREBBPKMOTSHR
SCHEMBL18283980 0.84 CA12 (0.55) RARGRARBCREBBPKMOTSHR
SCHEMBL24619897 0.82 CREBBP (0.43) RARGRARBCREBBPKMOTSHR
SCHEMBL662373 0.82 LMNA (0.47) RARGRARBCREBBPKMOMRGPRX4
SCHEMBL12941763 0.82 CREBBP (0.47) RARGRARBCREBBPKMOTSHR

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 RARG 4586/4885RARB 4690/4885CREBBP 2909/4885

“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.