SCHEMBL9067508

SCHEMBL9067508

[CH]1CCC(c2cccc(C3[CH]CCCCCC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP11B2 P19099 1/20 0.35
HTR2C P28335 5/20 0.33
SLC18A3 Q16572 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
TDO2 P48775 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9068165 0.87 KMO (0.43) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL17090721 0.84 KMO (0.40) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL17090740 0.82 KMT2A (0.33) HDAC8SLC18A3KMT2AALDH1A1MAPT
SCHEMBL11484818 0.76 SLC18A3 (0.40) KMOCYP11B2SLC18A3KMT2AMEN1
SCHEMBL777518 0.76 HTR2A (0.39) HTR2CKMT2AMEN1ALDH1A1MAPT
SCHEMBL2160450 0.74 ALDH1A1 (0.41) SLC18A3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL777693 0.74 ALDH1A1 (0.41) SLC18A3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2157992 0.74 ALDH1A1 (0.41) SLC18A3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5667650 0.73 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL669730 0.73 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2

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-20150291728-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION DAICEL CORPORATION (JP) 2015-10-15 US disclosed
EP-2921513-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION Daicel Corporation (JP) 2015-09-23 EP disclosed
US-5502207-A ALKENYL-SUBSTITUTED BISNADIMIDE MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-03-26 US 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-20150291728-A1 EPOXY COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE EPOXY RESIN COMPOSITION CBR1, SEM1, EEF1A1 KMO 2714/4885HDAC4 2111/4885HDAC2 679/4885

“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.