SCHEMBL5652288

SCHEMBL5652288

O=C(O)CCC(c1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
FFAR1 O14842 1/20 0.49
MITF O75030 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
CHRM3 P20309 1/20 0.43
IDO1 P14902 1/20 0.42
EPHX1 P07099 2/20 0.42

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
SCHEMBL30982183 0.88 KMT2A (0.63) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL27536627 0.84 FFAR1 (0.47) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL8007377 0.83 FFAR1 (0.69) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL30982192 0.83 KMT2A (0.57) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL7194995 0.80 PKM (0.56) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL16191249 0.78 PKM (0.68) MEN1KMT2APKMCTDSP1MITF
SCHEMBL14415599 0.78 PKM (0.59) MEN1KMT2APKMCTDSP1MITF
SCHEMBL9237527 0.78 PKM (0.59) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL966816 0.78 MEN1 (0.58) MEN1KMT2APKMCTDSP1FFAR1
SCHEMBL8007179 0.77 KMT2A (0.67) MEN1KMT2APKMCTDSP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
WO-2016046390-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-03-31 WO disclosed
US-7301045-B2 Method for preparing ester condensate JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
EP-1334960-B1 METHOD FOR PREPARING ESTER CONDENSATE JAPAN SCIENCE & TECH AGENCY (JP) 2006-10-11 EP disclosed
US-20040015005-A1 Process for producing esterificated condensate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-01-22 US disclosed
EP-1334960-A1 PROCESS FOR PRODUCING ESTERIFICATED CONDENSATE Japan Science and Technology Corporation (JP) 2003-08-13 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-20040015005-A1 Process for producing esterificated condensate HACL2, ADH5, ADH1C MEN1 4132/4885KMT2A 3996/4885PKM 2500/4885

“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.