SCHEMBL5857535

SCHEMBL5857535

CCOC(=O)C(C)(C)OCCCC#CCC(NC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL5856202 0.83 ATM (0.49) KMT2AMAPK1ALDH1A1RECQLCYP4F2
SCHEMBL5855580 0.83 ATM (0.49) KMT2AMAPK1ALDH1A1RECQLCYP4F2
SCHEMBL5855740 0.83 ATM (0.49) KMT2AMAPK1ALDH1A1RECQLCYP4F2
SCHEMBL5857271 0.74 HTT (0.48) KMT2AALDH1A1RECQLCYP4F2CYP4A11
SCHEMBL5858434 0.73 HTT (0.47) KMT2AALDH1A1CYP4F2CYP4A11MEN1
SCHEMBL5856093 0.72 HTT (0.46) KMT2AMAPK1ALDH1A1CYP4F2CYP4A11
SCHEMBL5855632 0.72 ABCB11 (0.46) KMT2ACYP4F2CYP4A11MEN1ATM
SCHEMBL621763 0.72 ALDH1A1 (0.52) KMT2AMAPK1ALDH1A1RECQLMEN1
SCHEMBL5856846 0.71 CYP4F2 (0.59) KMT2ACYP4F2CYP4A11MEN1MMP8
SCHEMBL5858028 0.70 CYP4F2 (0.54) KMT2AALDH1A1CYP4F2CYP4A11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB KMT2A 1723/4885MAPK1 484/4885ALDH1A1 760/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE KMT2A 2137/4885MAPK1 368/4885ALDH1A1 571/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC KMT2A 2456/4885MAPK1 194/4885ALDH1A1 557/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC KMT2A 2456/4885MAPK1 194/4885ALDH1A1 557/4885

“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.