SCHEMBL16092090

SCHEMBL16092090

O=C(CCCCCCC(=O)ON1C(=O)CCC1=O)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HDAC3 O15379 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ HPGD P15428 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ EPHX2 P34913 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL15184303 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL20033531 1.00 SMN1; SMN2 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL21019497 0.91 ALDH1A1 (0.51) SMN1; SMN2HPGDALDH1A1GAAMEN1
SCHEMBL16509392 0.87 EPHX2 (0.45) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL16509390 0.82 EPHX2 (0.40) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL24860007 0.80 NAAA (0.51) HPGDEPHX1MEN1KMT2ACYP3A4
SCHEMBL22181049 0.80 NAAA (0.51) HPGDEPHX1MEN1KMT2ACYP3A4
SCHEMBL20801422 0.80 NAAA (0.51) HPGDEPHX1MEN1KMT2ACYP3A4
SCHEMBL24859925 0.80 NAAA (0.37) SMN1; SMN2ALDH1A1GAAMAPK1EPHX2
SCHEMBL22181082 0.80 NAAA (0.37) SMN1; SMN2ALDH1A1GAAMAPK1EPHX2

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-9579391-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2017-02-28 — — US disclosed
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2016-07-07 — — US disclosed
US-9265838-B2 Conjugate based systems for controlled drug delivery SMART CELLS, INC. (US) 2016-02-23 — — US disclosed
US-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2014-09-18 — — 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 (2 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-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 SMN1; SMN2 606/4885HDAC3 1809/4885HDAC1 1906/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 SMN1; SMN2 606/4885HDAC3 1809/4885HDAC1 1906/4885

“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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