SCHEMBL3017984

SCHEMBL3017984

CCOC(=O)CCN(CCN)CCC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 4/20 0.45
TRPA1 O75762 1/20 0.45
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13755913 0.98 CYP1A2 (0.57) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL7866486 0.98 CYP1A2 (0.57) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL10820711 0.90 CYP1A2 (0.49) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL66021 0.89 ALDH1A1 (0.54) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL2001291 0.87 ALDH1A1 (0.52) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL10820650 0.87 CYP1A2 (0.50) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL23583339 0.84 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL13756007 0.83 CYP1A2 (0.52) CYP1A2ALDH1A1TRPA1GAAALOX15
SCHEMBL10257448 0.83 ALDH1A1 (0.48) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL17664923 0.82 HTR2C (0.50) CYP1A2ALDH1A1GAALMNATSHR

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
US-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2010-08-12 US disclosed
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009097332-A2 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2009-08-06 WO disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA CYP1A2 306/4885ALDH1A1 720/4885TRPA1 1995/4885

“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.