SCHEMBL10186121

SCHEMBL10186121

COc1ccc(C(=O)O)cc1C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA7 P43166 1/20 0.61
TPMT P51580 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
TSHR P16473 2/20 0.53
TTR P02766 2/20 0.50
PKM P14618 1/20 0.50
PDE4D Q08499 4/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49

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
SCHEMBL4395843 0.94 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL7792659 0.92 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL10186122 0.87 CA12 (0.61) CA12CA1CA2CA4CA6
SCHEMBL21484828 0.87 MEN1 (0.49) LMNAMAPK1TSHRPDE4DMEN1
SCHEMBL16950302 0.83 HTR2C (0.41) CA12CA1CA2CA4CA6
SCHEMBL10184838 0.83 TSHR (0.59) LMNARAB9ATSHR
SCHEMBL21484862 0.81 GSK3B (0.49) HTTLMNATSHRPDE4DPDE4A
SCHEMBL21862473 0.80 PDE4B (0.43) CA12CA1CA2CA4CA6
SCHEMBL10184873 0.80 MRGPRX4 (0.50) CA12CA1CA2CA4CA6
SCHEMBL7436101 0.80 PTGDR2 (0.48) RAB9APDE4DPDE4APDE4BPDE4C

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 CA12 4203/4885CA1 4328/4885CA2 3485/4885

“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.