SCHEMBL17446756

SCHEMBL17446756

CCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
CCKBR P32239 1/20 0.52
FAAH O00519 1/20 0.50

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
SCHEMBL17446812 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL17446732 1.00 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL17832976 0.94 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL17446648 0.93 PSMB5 (0.58) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL23497308 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL22684688 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL22577401 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL22684690 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL22577402 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2
SCHEMBL23497307 0.92 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 KMT2A 4320/4885MEN1 76/4885ALDH1A1 2273/4885

“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.