SCHEMBL6696645

SCHEMBL6696645

CCC[C@](O)(CCc1ccccc1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 6/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.44
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL4071793 1.00 SLC13A5 (0.49) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL4071789 1.00 SLC13A5 (0.49) SLC13A5KDM4EMEN1LMNACYP1A2
Ethyl Acetate SCHEMBL6494884 0.89 ALDH1A1 (0.43) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL4075370 0.88 MMP12 (0.42) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL4075367 0.88 MMP12 (0.42) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL11483933 0.86 TDP1 (0.43) KEAP1HPGDADRA1ASLC6A3ALDH1A1
SCHEMBL6560435 0.84 CA12 (0.43) SLC13A5KDM4ELMNAHPGDHDAC3
Phenylpropanolamine SCHEMBL6905819 0.84 LMNA (0.48) SLC13A5KDM4EMEN1LMNACYP1A2
SCHEMBL4074798 0.83 PPID (0.46) SMN1; SMN2
SCHEMBL27538796 0.83 HDAC3 (0.54) KDM4EMEN1LMNACYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO claimed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 US claimed
WO-2004052883-A2 PROCESS FOR THE SEPARATION OF ENANTIOMERS HONEYWELL INTERNATIONAL INC. (US) 2004-06-24 WO disclosed
US-20040110957-A1 Process for the synthesis of an antiviral compound HONEYWELL INTERNATIONAL, INC. (US) 2004-06-10 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-20040110957-A1 Process for the synthesis of an antiviral compound EIF2AK2, IRF3, RTF1 SLC13A5 4125/4885KDM4E 1241/4885MEN1 4842/4885

“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.