SCHEMBL2118020

SCHEMBL2118020

[CH2]CC(C)C=CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
PTGS1 P23219 1/20 0.36
PPARG P37231 1/20 0.36
OPRK1 P41145 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SPHK2 Q9NRA0 4/20 0.35
SPHK1 Q9NYA1 4/20 0.35
MAPT P10636 3/20 0.35
CETP P11597 3/20 0.35
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 2/20 0.35
POLB P06746 2/20 0.35
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
CXCR5 P32302 2/20 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
SCHEMBL28972980 1.00 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2118018 1.00 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2120881 0.86
SCHEMBL2120876 0.86
SCHEMBL2003208 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL29010864 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL28474387 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2008706 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2008705 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL1486690 0.81 MEN1 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
EP-0693284-A1 PROSTACYCLIN-CONTAINING OLEAGINOUS OINTMENT TEIJIN LIMITED (JP) 1996-01-24 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-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI MEN1 2671/4885KMT2A 2832/4885CYP3A4 58/4885

“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.