SCHEMBL10035606

SCHEMBL10035606

CCN(CCN1CCOCCN(CCN2CC(=O)CC(=O)C2)CCOCC1)CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 10/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.43
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PAK1 Q13153 1/20 0.38

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
SCHEMBL10001931 0.93 TERT (0.51) TERTTNKS2TSHRRAB9APIK3CD
SCHEMBL10035654 0.87 TERT (0.55) TERTTNKS2TSHRALDH1A1RAB9A
SCHEMBL10035607 0.86 TERT (0.50) TERTTNKS2TSHRALDH1A1CYP1A2
SCHEMBL10035653 0.86 TERT (0.54) TERTTNKS2TSHRRAB9APIK3CD
SCHEMBL10001921 0.80 TERT (0.48) TERTTNKS2TSHRALDH1A1
SCHEMBL10001935 0.80 TERT (0.47) TERTTNKS2TSHRPAK1
SCHEMBL10001934 0.80 TERT (0.49) TERTTNKS2TSHRRAB9APAK1
SCHEMBL10001923 0.73 TERT (0.41) TERTTNKS2TSHRALDH1A1RAB9A
SCHEMBL10001924 0.73 TERT (0.41) TERTTNKS2TSHRALDH1A1CYP2C19
SCHEMBL14530618 0.71 TERT (0.39) TERTTNKS2TSHRALDH1A1RAB9A

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-8110404-B2 Luminescent lanthanide binding chelates BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-07 — — US disclosed
US-20080299675-A1 Luminescent Lanthanide Binding Chelates BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2008-12-04 — — 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-20080299675-A1 Luminescent Lanthanide Binding Chelates HLCS, LYAR, SLC6A13 TERT 2908/4885TNKS2 3224/4885TSHR 512/4885

“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.

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