SCHEMBL11525588

SCHEMBL11525588

COC(=O)CCN(CCC(=O)OC)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ESRRB O95718 3/20 0.45
ESRRG P62508 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MIF P14174 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3142548 0.84 KMT2A (0.48) KMT2AMEN1ESRRBMAPTALDH1A1
SCHEMBL22474123 0.84 ALDH1A1 (0.46) KMT2AMEN1ESRRGMAPTALDH1A1
SCHEMBL9100936 0.84 SMN1; SMN2 (0.48) KMT2AMEN1ESRRBMAPTALDH1A1
SCHEMBL14750226 0.81 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL9103803 0.81 CYP1A1 (0.53) ESRRBESRRGMAPTALDH1A1LMNA
SCHEMBL11591464 0.81 SMN1; SMN2 (0.46) KMT2AMEN1ESRRBMAPTALDH1A1
SCHEMBL2135627 0.80 ALDH1A1 (0.53) KMT2AMEN1ESRRBMAPTALDH1A1
SCHEMBL11750668 0.78 SMN1; SMN2 (0.47) KMT2AMEN1ESRRBMAPTALDH1A1
SCHEMBL17232330 0.78 GAA (0.44) MAPTALDH1A1GAA
SCHEMBL16863794 0.77 ALDH1A1 (0.55) KMT2AMEN1ESRRGMAPTALDH1A1

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-20130059818-A1 CARBOSILANE DENDRIMERS AND THE USE THEREOF AS ANTIVIRAL AGENTS UNIVERSIDAD DE ALCALA DE HENARES (UAH) (ES) 2013-03-07 US disclosed
US-20130059818-A1 CARBOSILANE DENDRIMERS AND THE USE THEREOF AS ANTIVIRAL AGENTS UNIVERSIDAD DE ALCALA DE HENARES (UAH) (ES) 2013-03-07 US disclosed
WO-2011101520-A2 CARBOSILANE DENDRIMERS AND THE USE THEREOF AS ANTIVIRAL AGENTS UNIVERSIDAD DE ALCALÁ DE HENARES (UAH) (ES) 2011-08-25 WO disclosed
US-T979004-I4 N,N-bis-(2-carboxyethyl)-aminophenols MALLINCKRODT, INC. (US) 1979-02-06 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-20130059818-A1 CARBOSILANE DENDRIMERS AND THE USE THEREOF AS ANTIVIRAL AGENTS POLI, PCNA, PICALM KMT2A 1816/4885MEN1 2861/4885ESRRB 4547/4885

“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.